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Sugi Predict / Compounds / SCHEMBL5867670

SCHEMBL5867670

SCHEMBL5867670

O=C(Nc1cc(C2CC2)n[nH]1)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 11/20 0.59
▸ CDK2 P24941 11/20 0.59
▸ CCNA1 P78396 11/20 0.59
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ ADCY1 Q08828 1/20 0.44
▸ ADORA1 P30542 2/20 0.43
▸ F2 P00734 2/20 0.43
▸ F12 P00748 2/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2A P29274 1/20 0.43
▸ PLAU P00749 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5867954 0.95 CCNA2 (0.54) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867446 0.92 CCNA2 (0.51) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867600 0.90 CCNA2 (0.60) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867407 0.87 CCNA2 (0.64) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL19385161 0.87 CCNA2 (0.52) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867485 0.87 CCNA2 (0.65) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867742 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1
SCHEMBL5867828 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5868122 0.86 CCNA2 (0.61) CCNA2CDK2CCNA1
SCHEMBL5867549 0.86 CCNA2 (0.61) CCNA2CDK2CCNA1ADCY1F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202733-B1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-10-05 — — EP claimed
EP-1202733-A4 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-14 — — EP claimed
JP-2003507329-A — — 2003-02-25 — — JP claimed
EP-1202733-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 — — EP claimed
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 — — US claimed
WO-2001012189-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-02-22 — — WO claimed
US-7970581-B2 Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-06-28 — — US disclosed
US-7970581-B2 Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-06-28 — — US disclosed
US-7970580-B2 Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-06-28 — — US disclosed
US-7970580-B2 Methods of calculating differences of binding affinities between congeneric pairs of ligands by way of a displaced solvent functional THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-06-28 — — US disclosed
US-20100241411-A1 Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-23 — — US disclosed
US-20100241412-A1 Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-23 — — US disclosed
US-20100241412-A1 Methods of Calculating Differences of Binding Affinities Between Congeneric Pairs of Ligands by Way of a Displaced Solvent Functional NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-23 — — US disclosed
US-7034049-B1 3(5)-amino-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2006-04-25 — — US disclosed
EP-1202733-B1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-10-05 — — EP disclosed
CN-1454091-A Immunostimulatory nucleic acids UNIV IOWA RES FOUND (US) 2003-11-05 — — CN disclosed
EP-1202733-A4 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-14 — — EP disclosed
EP-1202733-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 — — EP disclosed
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 — — US disclosed
WO-2001012189-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-02-22 — — WO disclosed
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