SCHEMBL6172285

SCHEMBL6172285

Cc1cccc2c(CC3(C)NC(=O)N(c4ccc(OC(F)(F)F)cc4)C3=O)ccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK7 Q13164 1/20 0.39
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
AR P10275 4/20 0.34
IGF1R P08069 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
ELOVL3 Q9HB03 1/20 0.34
KCNH2 Q12809 1/20 0.33
SCN5A Q14524 1/20 0.33
SCN9A Q15858 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
NTRK1 P04629 1/20 0.33
TEAD1 P28347 2/20 0.33
TEAD4 Q15561 2/20 0.33
TEAD2 Q15562 2/20 0.33
TEAD3 Q99594 2/20 0.33
PDE2A O00408 1/20 0.33
CHRM5 P08912 1/20 0.32
SCN8A Q9UQD0 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL6171026 0.90 AR (0.35) POLBL3MBTL1ARIGF1RTRPV4
SCHEMBL6171211 0.90 HCRTR1 (0.39) POLBL3MBTL1KCNH2SCN5ASCN9A
SCHEMBL6174950 0.90 POLB (0.35) POLBL3MBTL1ARIGF1RELOVL6
SCHEMBL6171367 0.89 TEAD1 (0.34) POLBL3MBTL1ARIGF1RKCNH2
SCHEMBL6175888 0.89 GRM5 (0.35) POLBL3MBTL1ARIGF1RELOVL6
SCHEMBL6172558 0.86 TRPV4 (0.35) POLBL3MBTL1ELOVL6ELOVL3SCN9A
SCHEMBL6175236 0.85 IGF1R (0.50) ARIGF1RHTR1AADRA1DADRA1A
SCHEMBL2936644 0.80 IGF1R (0.55) IGF1R
SCHEMBL6173958 0.79 AR (0.35) POLBL3MBTL1ARIGF1RTRPV4
SCHEMBL6174388 0.78 MAPK7 (0.39) MAPK7POLBL3MBTL1ARELOVL6

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