SCHEMBL2940692

SCHEMBL2940692

C[C@H]1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)N1Cc1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.64
SMO Q99835 5/20 0.51
TEAD1 P28347 1/20 0.37
TAS2R8 Q9NYW2 3/20 0.37
HSD11B1 P28845 1/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL2939667 1.00 IGF1R (0.64) IGF1RSMOTEAD1TAS2R8HSD11B1
SCHEMBL2939674 1.00 IGF1R (0.64) IGF1RSMOTEAD1TAS2R8HSD11B1
Trifluoroacetic Acid SCHEMBL2942569 0.94 IGF1R (0.58) IGF1RSMOTAS2R8
Trifluoroacetic Acid SCHEMBL3727904 0.94 IGF1R (0.58) IGF1RSMOTAS2R8
Trifluoroacetic Acid SCHEMBL2940273 0.94 IGF1R (0.58) IGF1RSMOTAS2R8
SCHEMBL3002209 0.89 IGF1R (0.52) IGF1RSMOTEAD1HSD11B1HTT
SCHEMBL3002202 0.89 IGF1R (0.52) IGF1RSMOTEAD1HSD11B1HTT
SCHEMBL2934103 0.88 IGF1R (0.64) IGF1RSMOTEAD1TAS2R8
SCHEMBL2938125 0.86 IGF1R (0.65) IGF1RSMOTAS2R8
SCHEMBL2931866 0.86 IGF1R (0.65) IGF1RSMOTAS2R8

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP claimed
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 claimed
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 claimed
EP-1599464-B1 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA SA (FR) 2010-09-22 EP disclosed
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