SCHEMBL5867451

SCHEMBL5867451

Cc1ccc(C(=O)Nc2cc(C3CC3)n[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 9/20 0.49
CDK2 P24941 9/20 0.49
CCNA1 P78396 9/20 0.49
ADCY1 Q08828 1/20 0.46
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
AURKA O14965 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL5867785 0.93 CCNA2 (0.48) CCNA2CDK2CCNA1ADCY1RAB9A
SCHEMBL5867600 0.88 CCNA2 (0.60) CCNA2CDK2CCNA1RAB9ANPC1
SCHEMBL5867407 0.88 CCNA2 (0.64) CCNA2CDK2CCNA1ADCY1RAB9A
SCHEMBL5867686 0.87 CCNA2 (0.49) CCNA2CDK2CCNA1RAB9ANPC1
SCHEMBL5867549 0.86 CCNA2 (0.61) CCNA2CDK2CCNA1ADCY1HDAC6
SCHEMBL5867828 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1ADCY1RAB9A
SCHEMBL5868122 0.86 CCNA2 (0.61) CCNA2CDK2CCNA1HDAC6
SCHEMBL5867742 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1HDAC6
SCHEMBL5867648 0.86 NPC1 (0.46) CCNA2CDK2CCNA1RAB9ANPC1
SCHEMBL5867670 0.86 CCNA2 (0.59) CCNA2CDK2CCNA1ADCY1RAB9A

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