SCHEMBL6171367

SCHEMBL6171367

CNc1cccc2c(CC3(C)NC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccnc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.34
TEAD4 Q15561 2/20 0.34
TEAD2 Q15562 2/20 0.34
TEAD3 Q99594 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
AR P10275 3/20 0.33
CYP3A4 P08684 2/20 0.33
KDR P35968 2/20 0.33
PDE2A O00408 1/20 0.33
RAF1 P04049 1/20 0.33
LCK P06239 1/20 0.33
RET P07949 1/20 0.33
KIT P10721 1/20 0.33
MAP3K20 Q9NYL2 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
IGF1R P08069 1/20 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
SCHEMBL6172285 0.89 MAPK7 (0.39) TEAD1TEAD4TEAD2TEAD3POLB
SCHEMBL6171211 0.88 HCRTR1 (0.39) POLBL3MBTL1CYP3A4GPR139ALDH1A1
SCHEMBL6174950 0.88 POLB (0.35) TEAD1TEAD4TEAD2TEAD3POLB
SCHEMBL6171026 0.88 AR (0.35) TEAD1TEAD4TEAD2TEAD3POLB
SCHEMBL6175888 0.86 GRM5 (0.35) TEAD1TEAD4TEAD2TEAD3POLB
SCHEMBL6172558 0.83 TRPV4 (0.35) POLBL3MBTL1ALDH1A1GAAMAPT
SCHEMBL6173183 0.82 CYP3A4 (0.39) TRPV1POLBL3MBTL1ARCYP3A4
SCHEMBL2934081 0.81 IGF1R (0.53) IGF1R
SCHEMBL6173272 0.79 GPR139 (0.34) TRPV1POLBL3MBTL1ARCYP3A4
SCHEMBL2938866 0.78 GCGR (0.42) TEAD1TEAD4TEAD2TEAD3CYP3A4

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