SCHEMBL5867952

SCHEMBL5867952

O=C(Cc1ccncc1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 14/20 0.48
CCNA2 P20248 11/20 0.48
CCNA1 P78396 11/20 0.48
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
SIGMAR1 Q99720 1/20 0.42
CDK5 Q00535 3/20 0.41
CCNE1 P24864 2/20 0.41
CDK5R1 Q15078 2/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNB3 Q8WWL7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CDK9 P50750 2/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL5867926 0.88 CDK2 (0.62) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867496 0.87 LMNA (0.50) CDK2CCNA2CCNA1RAB9ANPC1
SCHEMBL5867687 0.86 CDK2 (0.49) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867749 0.86 CDK2 (0.49) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867860 0.86 CDK2 (0.49) CDK2CCNA2CCNA1RAB9ANPC1
SCHEMBL5867533 0.85 CYP1A2 (0.48) CDK2CCNA2CCNA1SIGMAR1CRACR2A
SCHEMBL5867724 0.85 CDK2 (0.48) CDK2CCNA2CCNA1SIGMAR1ROCK2
SCHEMBL5867593 0.84 CDK2 (0.65) CDK2CCNA2CCNA1RAB9ACDK5
SCHEMBL5867743 0.83 CDK2 (0.45) CDK2CCNA2CCNA1CDK5CDK1
SCHEMBL5867511 0.83 NLRP3 (0.47) 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 11 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
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
CN-1454091-A Immunostimulatory nucleic acids UNIV IOWA RES FOUND (US) 2003-11-05 CN 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