SCHEMBL5867826

SCHEMBL5867826

O=C(Cc1csc(-c2cnccn2)n1)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 20/20 0.50
▸ CCNA2 P20248 11/20 0.50
▸ CCNA1 P78396 11/20 0.50
▸ CCNE1 P24864 9/20 0.50
▸ GSK3B P49841 4/20 0.50
▸ CCNB2 O95067 1/20 0.48
▸ CCNE2 O96020 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ CCNB3 Q8WWL7 1/20 0.48

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
SCHEMBL5867861 0.80 CDK2 (0.70) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL5868018 0.77 CDK2 (0.58) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL27575997 0.76 CDK2 (0.60) CDK2CCNA2CCNA1CCNE1GSK3B
SCHEMBL5867894 0.75 CDK2 (0.64) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL5868306 0.73 CDK2 (0.60) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL5867440 0.72 CDK2 (0.66) CDK2CCNA2CCNA1CCNE1CCNB2
SCHEMBL5867759 0.72 CDK2 (0.51) CDK2CCNA2CCNA1CCNE1GSK3B
SCHEMBL5867802 0.72 CDK2 (0.51) CDK2CCNA2CCNA1CCNE1GSK3B
SCHEMBL4022290 0.71 HDAC1 (0.55) —
SCHEMBL27576174 0.71 CDK2 (0.79) CDK2CCNA2CCNA1CCNE1CCNB2

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 12 patents. 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
CN-1373662-A 3(5)-amino-pyrazole derivs., process for their preparation and their use as antitumor agents PHARMACIA & UP JOHN S P A (IT) 2002-10-09 — — CN 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
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-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
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
CN-1373662-A 3(5)-amino-pyrazole derivs., process for their preparation and their use as antitumor agents PHARMACIA & UP JOHN S P A (IT) 2002-10-09 — — CN 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
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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