SCHEMBL2332408

SCHEMBL2332408

CCOC(=O)Nc1n[nH]c2c(F)c(F)c(-c3ccccc3)cc12

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.60
CDK1 P06493 2/20 0.60
CDK2 P24941 2/20 0.60
NTRK1 P04629 1/20 0.48
MAPK1 P28482 5/20 0.45
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
GSK3A P49840 2/20 0.41
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FGFR1 P11362 1/20 0.40
FGFR2 P21802 1/20 0.40
FGFR3 P22607 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
SCHEMBL4381668 0.86 GSK3B (0.60) GSK3BCDK1CDK2MAPK1GSK3A
SCHEMBL1461697 0.84 GSK3B (0.82) GSK3BCDK1CDK2MAPK1GSK3A
SCHEMBL2334015 0.80 GSK3B (0.50) GSK3BCDK1CDK2MAPK1GSK3A
SCHEMBL4392816 0.80 GSK3B (0.61) GSK3BCDK1CDK2NTRK1MAPK1
SCHEMBL2338792 0.79 GSK3B (0.49) GSK3BCDK1CDK2MAPK1GSK3A
SCHEMBL4486223 0.78 GSK3B (0.73) GSK3BCDK1CDK2NTRK1MAPK1
SCHEMBL2333341 0.76 GSK3B (0.53) GSK3BCDK1CDK2MAPK1POLB
SCHEMBL1377235 0.75 GSK3B (0.52) GSK3BCDK1CDK2KDM4EPOLB
SCHEMBL4392791 0.73 GSK3B (0.76) GSK3BCDK1CDK2MAPK1GSK3A
SCHEMBL2337608 0.73 GSK3B (0.49) GSK3BCDK1CDK2KDM4EGSK3A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572200-B1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2011-08-17 EP disclosed
EP-1572200-A1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-09-14 EP disclosed
WO-2004062662-A1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-07-29 WO disclosed