SCHEMBL6174952

SCHEMBL6174952

CC(c1ccncc1NS(N)(=O)=O)C1(C(C)c2ccncc2NS(N)(=O)=O)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 14/20 0.38
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL6173900 0.92 IGF1R (0.42) IGF1RALDH1A1AR
SCHEMBL6174729 0.88 IGF1R (0.37) IGF1RALDH1A1
SCHEMBL6174307 0.86 CYP2C9 (0.38) ALDH1A1CYP3A4GAACYP2C9CYP2C19
SCHEMBL6172850 0.85 IGF1R (0.35) IGF1RCYP2C9CYP2C19
SCHEMBL6172761 0.84 IGF1R (0.42) IGF1RALDH1A1KMT2A
SCHEMBL6174921 0.83 IGF1R (0.43) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL6174310 0.83 IGF1R (0.43) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL6173549 0.83 IGF1R (0.43) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL6172115 0.82 IGF1R (0.37) IGF1RALDH1A1CYP3A4GAACYP2C9
SCHEMBL6174958 0.82 IGF1R (0.43) IGF1RALDH1A1AR

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