SCHEMBL5867494

SCHEMBL5867494

O=C(Nc1cc(C2CC2)n[nH]1)c1ccc(Oc2ccc(F)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 7/20 0.46
CDK2 P24941 7/20 0.46
CCNA1 P78396 7/20 0.46
S1PR2 O95136 3/20 0.43
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
F2 P00734 2/20 0.41
PLG P00747 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ST14 Q9Y5Y6 1/20 0.41
ADCY1 Q08828 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPK14 Q16539 1/20 0.41
BRAF P15056 1/20 0.41
HDAC1 Q13547 1/20 0.41
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL5867828 0.93 CCNA2 (0.49) CCNA2CDK2CCNA1F2ADCY1
SCHEMBL5867780 0.89 CCNA2 (0.46) CCNA2CDK2CCNA1HDAC1
SCHEMBL5868003 0.89 CCNA2 (0.56) CCNA2CDK2CCNA1ADCY1CYP3A4
SCHEMBL5867785 0.88 CCNA2 (0.48) CCNA2CDK2CCNA1ADCY1CYP3A4
SCHEMBL5867872 0.86 SCN9A (0.52) CCNA2CDK2CCNA1ADCY1MAPT
SCHEMBL5868164 0.85 LRRK2 (0.51) CCNA2CDK2CCNA1LMNAMAPT
SCHEMBL5868230 0.84 CCNA2 (0.43) CCNA2CDK2CCNA1HDAC1SMN1; SMN2
SCHEMBL5868042 0.84 CCNA2 (0.63) CCNA2CDK2CCNA1ADCY1CYP3A4
SCHEMBL5867703 0.84 GCGR (0.49) CCNA2CDK2CCNA1SMN1; SMN2KMT2A
SCHEMBL5867879 0.84 MEN1 (0.54) CCNA2CDK2CCNA1SMN1; SMN2L3MBTL1

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