SCHEMBL6173058

SCHEMBL6173058

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

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.36
GAA P10253 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 3/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 1/20 0.34
TRPV3 Q8NET8 3/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
AR P10275 1/20 0.32

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
SCHEMBL6175145 0.92 ALDH1A1 (0.40) IGF1RGAAALDH1A1CYP3A4CYP2C9
SCHEMBL6174924 0.85 EPHX2 (0.39) IGF1RCYP2C9LMNAKMT2ATSHR
SCHEMBL6173783 0.85 LMNA (0.44) IGF1RGAAALDH1A1CYP3A4CYP2C9
SCHEMBL6174358 0.85 NPC1 (0.39) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6175073 0.84 IGF1R (0.38) IGF1RCYP3A4CYP2C9CYP2C19LMNA
SCHEMBL6175398 0.84 GRM5 (0.43) GAAALDH1A1CYP2C9LMNAKMT2A
SCHEMBL6173443 0.83 IGF1R (0.38) IGF1RCYP2C9LMNAKMT2ATSHR
SCHEMBL6753615 0.83 GAA (0.46) GAAALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL6175127 0.83 CYP2C9 (0.38) IGF1RGAAALDH1A1CYP2C9LMNA
SCHEMBL6174238 0.83 KDM4E (0.42) IGF1RALDH1A1LMNAKMT2ATSHR

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