SCHEMBL5867577

SCHEMBL5867577

N#Cc1cccc(C(=O)Nc2cc(C3CC3)n[nH]2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.48
GRM5 P41594 5/20 0.48
BRAF P15056 1/20 0.46
CCNA2 P20248 3/20 0.46
CDK2 P24941 3/20 0.46
CCNA1 P78396 3/20 0.46
HTR1A P08908 1/20 0.45
HTR1B P28222 1/20 0.45
HTR1F P30939 1/20 0.45
LRRK2 Q5S007 1/20 0.43
RORC P51449 1/20 0.43
CCR2 P41597 1/20 0.42

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
SCHEMBL5867611 0.87 LRRK2 (0.56) CCNA2CDK2CCNA1LRRK2
SCHEMBL5867485 0.83 CCNA2 (0.65) GRM5CCNA2CDK2CCNA1
SCHEMBL5867670 0.82 CCNA2 (0.59) CCNA2CDK2CCNA1
SCHEMBL5867583 0.82 CCNA2 (0.63) GRM5CCNA2CDK2CCNA1
SCHEMBL5867663 0.82 ADCY1 (0.51) GRM5CCNA2CDK2CCNA1
SCHEMBL5867870 0.82 KCNK3 (0.49) GRM5CCNA2CDK2CCNA1
SCHEMBL5867683 0.81 CCNA2 (0.65) GRM5CCNA2CDK2CCNA1
SCHEMBL5868164 0.81 LRRK2 (0.51) CCNA2CDK2CCNA1LRRK2
SCHEMBL5867572 0.79 CCNA2 (0.65) CCNA2CDK2CCNA1
SCHEMBL5867406 0.79 CCNA2 (0.70) GRM5CCNA2CDK2CCNA1

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 6 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
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