SCHEMBL2940635

SCHEMBL2940635

O=C1C(Cc2ccccc2)N(Cc2ccnc3ccccc23)C(=O)N1c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 18/20 0.53
TACR1 P25103 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL2940631 1.00 IGF1R (0.53) IGF1RTACR1HDAC6
Trifluoroacetic Acid SCHEMBL3736477 0.96 IGF1R (0.49) IGF1RTACR1HDAC6
SCHEMBL2941750 0.93 IGF1R (0.50) IGF1RHDAC6
SCHEMBL2941751 0.93 IGF1R (0.50) IGF1RHDAC6
Trifluoroacetic Acid SCHEMBL3726949 0.91 IGF1R (0.47) IGF1RHDAC6
SCHEMBL2937248 0.89 IGF1R (0.51) IGF1R
SCHEMBL2937245 0.89 IGF1R (0.51) IGF1R
SCHEMBL3726947 0.88 IGF1R (0.46) IGF1R
Trifluoroacetic Acid SCHEMBL3727093 0.87 IGF1R (0.47) IGF1RHDAC6
SCHEMBL2941625 0.85 IGF1R (0.72) IGF1R

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