SCHEMBL5867482

SCHEMBL5867482

O=C(Nc1cc(C2CC2)n[nH]1)c1ccccc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.64
CDK2 P24941 2/20 0.64
CCNA1 P78396 2/20 0.64
JAK2 O60674 3/20 0.47
JAK1 P23458 2/20 0.47
HPGD P15428 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
TYK2 P29597 1/20 0.46
BDKRB1 P46663 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
F2 P00734 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL5867534 0.86 CCNA2 (0.62) CCNA2CDK2CCNA1HPGDSMN1; SMN2
SCHEMBL5867536 0.86 MEN1 (0.51) CCNA2CDK2CCNA1JAK2JAK1
SCHEMBL5867690 0.86 CRACR2A (0.52) CCNA2CDK2CCNA1HPGDTYK2
SCHEMBL5867840 0.85 TYK2 (0.46) CCNA2CDK2CCNA1JAK2JAK1
SCHEMBL5867402 0.84 MMP3 (0.48) CCNA2CDK2CCNA1RAB9ANPC1
SCHEMBL5867557 0.83 KCNK3 (0.50) SMN1; SMN2RAB9ANPC1MAPTKMT2A
SCHEMBL5867670 0.82 CCNA2 (0.59) CCNA2CDK2CCNA1JAK2JAK1
SCHEMBL5597710 0.81 STAT3 (0.49) CCNA2CDK2CCNA1CYP1A2SMN1; SMN2
SCHEMBL5867747 0.80 RAB9A (0.51) SMN1; SMN2RAB9ANPC1MAPTTP53
SCHEMBL5867902 0.80 MAPT (0.49) HPGDMAPTKMT2ALMNATP53

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