SCHEMBL5867509

SCHEMBL5867509

O=C(Nc1cc(C2CC2)n[nH]1)C(=O)c1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.43
NPC1 O15118 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
CDK2 P24941 5/20 0.42
CCNA2 P20248 4/20 0.42
CCNA1 P78396 4/20 0.42
HSD17B10 Q99714 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC1 Q13547 1/20 0.38
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.38
TSHR P16473 2/20 0.37
KMT2A Q03164 3/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36

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
SCHEMBL5867599 0.88 HSD17B10 (0.52) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL5868036 0.80 CCNA2 (0.61) RAB9ANPC1CDK2CCNA2CCNA1
SCHEMBL5867840 0.72 TYK2 (0.46) RAB9ASMN1; SMN2MAPTCDK2CCNA2
SCHEMBL5867908 0.72 CASP3 (0.44) RAB9ANPC1MAPTPKMCDK2
SCHEMBL5487500 0.71 CDK2 (0.38) RAB9ANPC1SMN1; SMN2CDK2CCNA2
SCHEMBL5867670 0.71 CCNA2 (0.59) RAB9ANPC1MAPTCDK2CCNA2
SCHEMBL5597942 0.70 TP53 (0.47) RAB9ANPC1SMN1; SMN2MAPTCDK2
SCHEMBL5867668 0.70 ABL1 (0.43) SMN1; SMN2CDK2POLBKMT2AHPGD
SCHEMBL5867725 0.70 CDK2 (0.64) RAB9ANPC1SMN1; SMN2MAPTPKM
SCHEMBL5867747 0.69 RAB9A (0.51) RAB9ANPC1SMN1; SMN2MAPTPKM

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 12 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
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