SCHEMBL5867569

SCHEMBL5867569

O=C(Cc1ccc(-c2cc(F)ccc2F)cc1)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.73
CCNA2 P20248 11/20 0.73
CCNA1 P78396 11/20 0.73
CCNE1 P24864 5/20 0.63
CDK5 Q00535 3/20 0.63
CDK5R1 Q15078 2/20 0.63
CDK9 P50750 2/20 0.63
CCNB2 O95067 1/20 0.59
CCNE2 O96020 1/20 0.59
CDK1 P06493 1/20 0.59
CCNB1 P14635 1/20 0.59
CCNB3 Q8WWL7 1/20 0.59
GSK3B P49841 1/20 0.55

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
SCHEMBL5867468 0.89 CDK2 (0.82) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867404 0.89 CDK2 (0.80) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867616 0.88 CDK2 (0.77) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867408 0.88 CDK2 (0.67) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867798 0.86 CDK2 (0.77) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867958 0.85 CDK2 (0.82) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867544 0.84 CDK2 (1.00) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867518 0.84 CDK2 (0.83) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867836 0.84 CDK2 (0.75) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867609 0.84 CDK2 (0.73) CDK2CCNA2CCNA1CCNE1CDK5

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 4 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 claimed
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