SCHEMBL6173060

SCHEMBL6173060

COc1ccc(-c2cnccc2CC2(C)NC(=O)N(c3ccc(SC(F)(F)F)cc3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 11/20 0.42
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SLC22A12 Q96S37 2/20 0.39
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
AR P10275 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6175510 0.90 IGF1R (0.45) IGF1RSLC22A12AR
SCHEMBL6175003 0.85 CYP3A4 (0.43) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6173726 0.83 IGF1R (0.42) IGF1RALDH1A1AR
SCHEMBL6174077 0.83 CYP3A4 (0.49) IGF1RCYP3A4GAACYP2C9CYP2C19
SCHEMBL6173545 0.83 IGF1R (0.46) IGF1RAR
SCHEMBL6174374 0.82 IGF1R (0.48) IGF1RAR
SCHEMBL6174069 0.82 IGF1R (0.48) IGF1RAR
SCHEMBL6175503 0.82 IGF1R (0.48) IGF1RAR
SCHEMBL6173621 0.82 IGF1R (0.42) IGF1RAR
SCHEMBL6173951 0.82 IGF1R (0.44) IGF1RAR

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