SCHEMBL6174655

SCHEMBL6174655

CCOC(=O)c1cnccc1CC1(C)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.39
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.35
NAMPT P43490 2/20 0.34
AR P10275 2/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL6171997 0.88 IGF1R (0.41) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6174456 0.87 MAPT (0.40) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6171133 0.86 IGF1R (0.40) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6170249 0.85 IGF1R (0.40) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6175255 0.85 IGF1R (0.44) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6175170 0.85 IGF1R (0.44) IGF1RCYP3A4GAACYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL17558421 0.84 IGF1R (0.41) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6174638 0.84 IGF1R (0.43) IGF1RCYP3A4GAACYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL17558372 0.84 IGF1R (0.41) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6173328 0.83 IGF1R (0.44) IGF1RCYP3A4GAACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed