SCHEMBL6175145

SCHEMBL6175145

CC(c1ccnc(NC(=O)c2ccccc2)c1)C1(C(C)c2ccnc(NC(=O)c3ccccc3)c2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
IGF1R P08069 2/20 0.37
ATM Q13315 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK10 P53779 1/20 0.36
GAA P10253 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
LMNA P02545 3/20 0.35
CBLB Q13191 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL6174358 0.93 NPC1 (0.39) ALDH1A1RAB9ANPC1GAACYP2C9
SCHEMBL6173783 0.93 LMNA (0.44) ALDH1A1RAB9ANPC1IGF1RGAA
SCHEMBL6173058 0.92 IGF1R (0.36) ALDH1A1IGF1RGAACYP2C9CYP3A4
SCHEMBL6175398 0.92 GRM5 (0.43) ALDH1A1RAB9ANPC1GAACYP2C9
SCHEMBL6753615 0.91 GAA (0.46) ALDH1A1RAB9ANPC1GAACYP2C9
SCHEMBL6174924 0.90 EPHX2 (0.39) RAB9ANPC1IGF1RCYP2C9LMNA
SCHEMBL6175127 0.89 CYP2C9 (0.38) ALDH1A1RAB9ANPC1IGF1RGAA
SCHEMBL6172274 0.86 CYP3A4 (0.40) ALDH1A1RAB9ANPC1ATMMAPK9
SCHEMBL6175073 0.85 IGF1R (0.38) RAB9AIGF1RCYP2C9CYP3A4CYP2C19
SCHEMBL6175269 0.85 MAPT (0.40) ALDH1A1IGF1RGAACYP2C9KMT2A

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