SCHEMBL5867852

SCHEMBL5867852

O=C(Nc1cc(C2CC2)n[nH]1)c1ccc2ccccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.50
▸ RAB9A P51151 7/20 0.50
▸ KDM4E B2RXH2 2/20 0.48
▸ DEGS1 O15121 2/20 0.46
▸ SIRT2 Q8IXJ6 1/20 0.46
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46
▸ CCNA2 P20248 3/20 0.44
▸ CDK2 P24941 3/20 0.44
▸ CCNA1 P78396 3/20 0.44
▸ MEN1 O00255 2/20 0.44

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
SCHEMBL5867670 0.85 CCNA2 (0.59) NPC1RAB9ACCNA2CDK2CCNA1
SCHEMBL5867954 0.84 CCNA2 (0.54) NPC1RAB9ACCNA2CDK2CCNA1
SCHEMBL5867446 0.84 CCNA2 (0.51) NPC1RAB9AKDM4EHDAC1HDAC8
SCHEMBL5867752 0.82 CCNA2 (0.64) NPC1RAB9AKDM4ECCNA2CDK2
SCHEMBL5867407 0.82 CCNA2 (0.64) NPC1RAB9AHDAC6CCNA2CDK2
SCHEMBL5867600 0.82 CCNA2 (0.60) NPC1RAB9AHDAC3HDAC11HDAC8
SCHEMBL5867485 0.81 CCNA2 (0.65) NPC1RAB9ACCNA2CDK2CCNA1
SCHEMBL5868240 0.81 CCNA2 (0.47) CCNA2CDK2CCNA1
SCHEMBL5867549 0.81 CCNA2 (0.61) HDAC3HDAC11HDAC8HDAC6CCNA2
SCHEMBL5867828 0.81 CCNA2 (0.49) NPC1RAB9ACCNA2CDK2CCNA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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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