SCHEMBL5867701

SCHEMBL5867701

O=C(Nc1cc(C2CC2)[nH]n1)c1cc(C(=O)c2cc3ccccc3s2)c[nH]1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 20/20 0.56
CDK2 P24941 20/20 0.56
CCNA1 P78396 20/20 0.56
CCNB2 O95067 1/20 0.45
CCNE2 O96020 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
CCNE1 P24864 1/20 0.45
CDK5 Q00535 1/20 0.45
CDK5R1 Q15078 1/20 0.45
CCNB3 Q8WWL7 1/20 0.45

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
SCHEMBL5867427 0.83 CDK2 (0.57) CCNA2CDK2CCNA1
SCHEMBL5868159 0.79 CCNA2 (0.60) CCNA2CDK2CCNA1
SCHEMBL5867899 0.79 CCNA2 (0.60) CCNA2CDK2CCNA1
SCHEMBL5867928 0.77 CCNA2 (0.60) CCNA2CDK2CCNA1
SCHEMBL5867965 0.77 CCNA2 (0.73) CCNA2CDK2CCNA1
SCHEMBL5867441 0.77 CCNA2 (0.60) CCNA2CDK2CCNA1
SCHEMBL5867885 0.77 CCNA2 (0.60) CCNA2CDK2CCNA1
SCHEMBL5867459 0.76 CDK2 (0.65) CCNA2CDK2CCNA1CCNB2CCNE2
SCHEMBL5867857 0.76 CCNA2 (0.60) CCNA2CDK2CCNA1
SCHEMBL6188841 0.74 CCNA2 (0.58) CCNA2CDK2CCNA1

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
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 claimed
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
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