SCHEMBL5867744

SCHEMBL5867744

O=C(Nc1cc(C2CC2)n[nH]1)c1ccc2c(c1)OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 14/20 0.53
NPC1 O15118 12/20 0.53
SMN1; SMN2 Q16637 8/20 0.53
NFKB1 P19838 3/20 0.53
NFKB2 Q00653 3/20 0.53
RELA Q04206 3/20 0.53
PKM P14618 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
PTGS2 P35354 1/20 0.52
CASP3 P42574 4/20 0.52
SENP7 Q9BQF6 4/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HPGD P15428 3/20 0.50
MAOB P27338 1/20 0.50
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50

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
SCHEMBL5868294 0.81 ROCK1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL5867752 0.80 CCNA2 (0.64) RAB9ANPC1PKMMAPTMEN1
SCHEMBL5867407 0.80 CCNA2 (0.64) RAB9ANPC1MAPTCCNA2CDK2
SCHEMBL5867600 0.80 CCNA2 (0.60) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL5597683 0.80 KMT2A (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1MEN1
SCHEMBL5868240 0.79 CCNA2 (0.47) SMN1; SMN2MAOBCCNA2CDK2CCNA1
SCHEMBL5868122 0.79 CCNA2 (0.61) CCNA2CDK2CCNA1
SCHEMBL5867828 0.79 CCNA2 (0.49) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL5867549 0.79 CCNA2 (0.61) CCNA2CDK2CCNA1
SCHEMBL5867742 0.79 CCNA2 (0.49) CCNA2CDK2CCNA1

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 7 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 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
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 US 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