SCHEMBL5867485

SCHEMBL5867485

O=C(Nc1cc(C2CC2)n[nH]1)c1cccc(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.65
CDK2 P24941 2/20 0.65
CCNA1 P78396 2/20 0.65
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.49
JAK2 O60674 1/20 0.48
JAK1 P23458 1/20 0.48
GRM5 P41594 2/20 0.48
KCNQ3 O43525 1/20 0.48
KCNQ2 O43526 1/20 0.48
KCNE1 P15382 1/20 0.48
KCNQ1 P51787 1/20 0.48
KCNQ5 Q9NR82 1/20 0.48
ADORA1 P30542 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46

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 0.87 CCNA2 (0.59) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867583 0.86 CCNA2 (0.63) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867663 0.86 ADCY1 (0.51) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867870 0.86 KCNK3 (0.49) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867407 0.85 CCNA2 (0.64) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867752 0.83 CCNA2 (0.64) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867577 0.83 IRAK4 (0.48) CCNA2CDK2CCNA1GRM5
SCHEMBL5867572 0.83 CCNA2 (0.65) CCNA2CDK2CCNA1KCNQ3KCNQ2
SCHEMBL5867683 0.83 CCNA2 (0.65) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867954 0.82 CCNA2 (0.54) CCNA2CDK2CCNA1NPC1RAB9A

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