SCHEMBL5867402

SCHEMBL5867402

O=C(Nc1cc(C2CC2)n[nH]1)c1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CCNA2 P20248 2/20 0.46
CDK2 P24941 2/20 0.46
CCNA1 P78396 2/20 0.46
CNR1 P21554 6/20 0.45
ALDH1A1 P00352 2/20 0.45
CNR2 P34972 4/20 0.45
NPC1 O15118 3/20 0.45
DEGS1 O15121 1/20 0.45
RAB9A P51151 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 1/20 0.44
PLK1 P53350 1/20 0.43
GFER P55789 1/20 0.43

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
SCHEMBL5867482 0.84 CCNA2 (0.64) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867534 0.82 CCNA2 (0.62) CCNA2CDK2CCNA1ALDH1A1NPC1
SCHEMBL5867690 0.82 CRACR2A (0.52) CCNA2CDK2CCNA1ALDH1A1NPC1
SCHEMBL5867539 0.80 CCNA2 (0.66) HDAC8CCNA2CDK2CCNA1ALDH1A1
SCHEMBL5867557 0.80 KCNK3 (0.50) NPC1RAB9AKMT2AMEN1POLB
SCHEMBL5867670 0.79 CCNA2 (0.59) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867478 0.79 KMT2A (0.52) ALDH1A1KMT2AMEN1GFER
SCHEMBL5868100 0.78 CCNA2 (0.70) CCNA2CDK2CCNA1
SCHEMBL5867714 0.77 NPC1 (0.53) ALDH1A1CNR2NPC1RAB9A
SCHEMBL5867840 0.77 TYK2 (0.46) CCNA2CDK2CCNA1ALDH1A1RAB9A

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