SCHEMBL6174680

SCHEMBL6174680

CC(C)OC(=O)Nc1cnccc1CC1(C)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.37
NAMPT P43490 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
THRB P10828 1/20 0.33
AR P10275 2/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
TP53 P04637 1/20 0.30
TRPV3 Q8NET8 1/20 0.30

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
SCHEMBL6175985 0.88 IGF1R (0.41) IGF1RNAMPTCYP2C9CYP3A4GAA
SCHEMBL6175557 0.88 GAA (0.36) IGF1RNAMPTCYP2C9CYP3A4GAA
SCHEMBL6174775 0.87 CYP3A4 (0.38) NAMPTCYP2C9CYP3A4GAACYP2C19
SCHEMBL6174742 0.86 IGF1R (0.40) IGF1RCYP2C9CYP3A4GAACYP2C19
SCHEMBL6176020 0.86 IGF1R (0.40) IGF1RNAMPTCYP2C9CYP3A4GAA
SCHEMBL6173363 0.85 IGF1R (0.34) IGF1RNAMPTCYP2C9CYP3A4GAA
SCHEMBL6171908 0.83 NAMPT (0.49) IGF1RNAMPTCYP2C9
SCHEMBL3738914 0.82 IGF1R (0.55) IGF1RNAMPT
SCHEMBL6174113 0.82 IGF1R (0.40) IGF1RNAMPTCYP2C9CYP3A4GAA
SCHEMBL6174137 0.82 CYP2C9 (0.36) IGF1RNAMPTCYP2C9CYP3A4GAA

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