SCHEMBL2938461

SCHEMBL2938461

Cc1ccccc1NC(=O)c1cc(CN2C(=O)N(c3ccc(S(=O)(=O)C(F)(F)F)cc3)C(=O)C2C)ccn1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 4/20 0.57
SMO Q99835 3/20 0.41
NPY5R Q15761 1/20 0.36
MAPK1 P28482 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL2940402 0.90 IGF1R (0.59) IGF1RSMOMAPK1HDAC1HDAC6
SCHEMBL2939858 0.87 IGF1R (0.59) IGF1RSMO
SCHEMBL2941452 0.87 SMO (0.42) IGF1RSMO
SCHEMBL2942468 0.85 IGF1R (0.61) IGF1RSMOPTGDR2
SCHEMBL2938849 0.85 IGF1R (0.61) IGF1RSMOPTGDR2
SCHEMBL2938301 0.84 PPARD (0.40) IGF1RNPY5RMAPK1PTGDR2
SCHEMBL2934055 0.84 IGF1R (0.57) IGF1R
SCHEMBL2936925 0.83 IGF1R (0.56) IGF1RSMOPTGDR2
SCHEMBL2939240 0.83 IGF1R (0.55) IGF1RSMOHDAC6
SCHEMBL2940949 0.83 IGF1R (0.58) IGF1RSMOPTGDR2

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 1 patent. 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 disclosed