SCHEMBL5868052

SCHEMBL5868052

COc1cc(CC(=O)Nc2cc(C3CC3)[nH]n2)ccc1OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.67
CCNA2 P20248 11/20 0.67
CCNA1 P78396 11/20 0.67
CDK5 Q00535 4/20 0.62
CCNE1 P24864 4/20 0.62
CDK5R1 Q15078 3/20 0.62
CCNB2 O95067 1/20 0.62
CCNE2 O96020 1/20 0.62
CDK1 P06493 1/20 0.62
CCNB1 P14635 1/20 0.62
CCNB3 Q8WWL7 1/20 0.62
CDK9 P50750 3/20 0.61
CCNT1 O60563 1/20 0.61
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52

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
SCHEMBL5867695 0.84 CDK2 (0.79) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867462 0.84 CDK2 (0.67) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867751 0.83 CDK2 (0.69) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867369 0.82 CDK2 (0.68) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867786 0.82 CDK2 (0.79) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL27594398 0.82 IGF1R (0.58) NPC1PKMRAB9A
SCHEMBL5867719 0.82 CDK2 (1.00) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5868090 0.82 CDK2 (0.72) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867490 0.80 CDK2 (1.00) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867910 0.80 CDK2 (0.92) CDK2CCNA2CCNA1CDK5CCNE1

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 13 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
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 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
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
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