SCHEMBL5867549

SCHEMBL5867549

O=C(Nc1cc(C2CC2)n[nH]1)c1ccc(Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 15/20 0.61
CDK2 P24941 15/20 0.61
CCNA1 P78396 15/20 0.61
ADCY8 P40145 1/20 0.46
ADCY1 Q08828 1/20 0.46
HDAC3 O15379 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
F2 P00734 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
SCHEMBL5867600 0.88 CCNA2 (0.60) CCNA2CDK2CCNA1HDAC3HDAC11
SCHEMBL5867407 0.88 CCNA2 (0.64) CCNA2CDK2CCNA1ADCY1HDAC6
SCHEMBL5867742 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1HDAC3HDAC11
SCHEMBL5867828 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1ADCY1F2
SCHEMBL5868122 0.86 CCNA2 (0.61) CCNA2CDK2CCNA1HDAC3HDAC11
SCHEMBL5867451 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1ADCY1HDAC6
SCHEMBL5867670 0.86 CCNA2 (0.59) CCNA2CDK2CCNA1ADCY1F2
SCHEMBL5867583 0.86 CCNA2 (0.63) CCNA2CDK2CCNA1
SCHEMBL5867954 0.84 CCNA2 (0.54) CCNA2CDK2CCNA1
SCHEMBL5867686 0.84 CCNA2 (0.49) CCNA2CDK2CCNA1F2

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