SCHEMBL6174555

SCHEMBL6174555

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.40
KMT2A Q03164 1/20 0.35
AR P10275 4/20 0.33
NAMPT P43490 1/20 0.33
CYP2C9 P11712 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
ITGAL P20701 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
SCHEMBL6174113 0.90 IGF1R (0.40) IGF1RKMT2AARNAMPTCYP2C9
SCHEMBL6176685 0.89 IGF1R (0.39) IGF1RKMT2AARNAMPTCYP2C9
SCHEMBL6174148 0.88 IGF1R (0.40) IGF1RKMT2AARNAMPTCYP2C9
SCHEMBL6174225 0.87 MAPT (0.42) IGF1RKMT2ACYP2C9ALDH1A1GAA
SCHEMBL6172456 0.87 IGF1R (0.42) IGF1RAR
SCHEMBL6175495 0.87 CYP3A4 (0.36) KMT2AARNAMPTCYP2C9ALDH1A1
SCHEMBL6176020 0.87 IGF1R (0.40) IGF1RKMT2AARNAMPTCYP2C9
SCHEMBL6173238 0.86 IGF1R (0.41) IGF1RKMT2ANAMPTALDH1A1TP53
SCHEMBL6175985 0.85 IGF1R (0.41) IGF1RKMT2AARNAMPTCYP2C9
SCHEMBL6171635 0.84 IGF1R (0.38) IGF1RKMT2AARNAMPTCYP2C9

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