SCHEMBL3090660

SCHEMBL3090660

CC1(C)C(=O)N(c2ccc(OC(F)F)cc2Br)C(=O)N1Cc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 9/20 0.47
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
TAS2R8 Q9NYW2 2/20 0.40

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
SCHEMBL2936825 0.88 IGF1R (0.52) IGF1RHDAC1HDAC6TAS2R8
SCHEMBL2935351 0.83 IGF1R (0.63) IGF1RTAS2R8
SCHEMBL13177341 0.81 IGF1R (0.49) IGF1RHDAC1HDAC6TAS2R8
SCHEMBL2935325 0.77 IGF1R (0.53) IGF1RTAS2R8
SCHEMBL2941564 0.77 IGF1R (0.53) IGF1RTAS2R8
SCHEMBL13076385 0.76 IGF1R (0.52) IGF1RTAS2R8
SCHEMBL2939788 0.73 IGF1R (0.48) IGF1RTAS2R8
SCHEMBL2939756 0.72 IGF1R (0.66) IGF1RTAS2R8
SCHEMBL19410365 0.72 IGF1R (0.49) IGF1RHDAC1HDAC6TAS2R8
SCHEMBL13177530 0.71 IGF1R (0.50) IGF1RHDAC1HDAC6TAS2R8

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