SCHEMBL2936591

SCHEMBL2936591

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

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 17/20 0.58
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
SMO Q99835 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
SCHEMBL2936597 1.00 IGF1R (0.58) IGF1RHCRTR1HCRTR2SMO
Trifluoroacetic Acid SCHEMBL3727665 0.94 IGF1R (0.52) IGF1RHCRTR1HCRTR2SMO
SCHEMBL2940768 0.89 IGF1R (0.60) IGF1RHCRTR1HCRTR2SMO
SCHEMBL2941262 0.89 IGF1R (0.60) IGF1RHCRTR1HCRTR2SMO
SCHEMBL2940771 0.89 IGF1R (0.60) IGF1RHCRTR1HCRTR2SMO
SCHEMBL2942050 0.85 IGF1R (0.44) IGF1R
SCHEMBL2942048 0.85 IGF1R (0.44) IGF1R
Trifluoroacetic Acid SCHEMBL3734827 0.83 IGF1R (0.54) IGF1RHCRTR1HCRTR2SMO
Trifluoroacetic Acid SCHEMBL3726606 0.83 IGF1R (0.54) IGF1RHCRTR1HCRTR2SMO
SCHEMBL3002202 0.82 IGF1R (0.52) IGF1RSMO

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