SCHEMBL5867764

SCHEMBL5867764

O=C(Cc1cc(C(F)(F)F)ccc1C(F)(F)F)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.58
CCNA2 P20248 13/20 0.58
CCNA1 P78396 13/20 0.58
CCNE1 P24864 6/20 0.53
CDK5 Q00535 2/20 0.53
CDK5R1 Q15078 2/20 0.53
CCNB2 O95067 1/20 0.53
CCNE2 O96020 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
CDK9 P50750 1/20 0.49

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
SCHEMBL6389797 0.88 CDK2 (0.55) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867565 0.87 CDK2 (0.68) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5868172 0.83 CDK2 (0.53) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867835 0.82 CDK2 (0.76) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867700 0.82 CDK2 (0.71) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL6188984 0.81 CDK2 (0.67) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL6387170 0.81 CDK2 (0.71) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL6388801 0.78 CDK2 (0.59) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867545 0.78 CDK2 (0.77) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5868066 0.77 CCNA2 (0.78) CDK2CCNA2CCNA1

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 11 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
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 claimed
JP-2003507329-A 2003-02-25 JP claimed
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 claimed
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 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