SCHEMBL6173832

SCHEMBL6173832

CC(c1ccncc1-c1ccccc1)C1(C(C)c2ccncc2-c2ccccc2)NC(=O)N(c2ccc(SC(F)(F)F)cc2)C1=O

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 12/20 0.40
SLC22A12 Q96S37 1/20 0.35
PDE2A O00408 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
AR P10275 2/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL6178331 0.89 CYP3A4 (0.41) IGF1RSLC22A12LMNAALDH1A1
SCHEMBL6174921 0.85 IGF1R (0.43) IGF1RARALDH1A1
SCHEMBL6173549 0.85 IGF1R (0.43) IGF1RARALDH1A1
SCHEMBL6174310 0.85 IGF1R (0.43) IGF1RARALDH1A1
SCHEMBL6174812 0.85 ALDH1A1 (0.38) PDE2ALMNAALDH1A1
SCHEMBL6172761 0.85 IGF1R (0.42) IGF1RLMNATSHRKMT2AALDH1A1
SCHEMBL6174841 0.85 IGF1R (0.42) IGF1RLMNA
SCHEMBL6173913 0.84 IGF1R (0.43) IGF1RARALDH1A1
SCHEMBL6174315 0.84 IGF1R (0.41) IGF1RLMNAARALDH1A1
SCHEMBL6173174 0.84 IGF1R (0.44) IGF1RARALDH1A1

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