SCHEMBL2937811

SCHEMBL2937811

O=C1CN(Cc2ccncc2-c2ccccn2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1.O=C1CN(Cc2ccncc2Cc2ccccc2)C(=O)N1c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.38
ENPP2 Q13822 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
PTGS2 P35354 1/20 0.32
SCN9A Q15858 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
TAS2R8 Q9NYW2 4/20 0.31
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
NAMPT P43490 1/20 0.30

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
SCHEMBL3730514 0.93 IGF1R (0.42) IGF1RENPP2PTGS2SCN9ASCN10A
SCHEMBL3728965 0.91 IGF1R (0.41) IGF1RENPP2SCN9ATAS2R8PPARD
SCHEMBL3093717 0.87 CYP11B1 (0.36) ENPP2GABRA1GABRB2SCN9ASCN10A
SCHEMBL2939355 0.83 ENPP2 (0.43) IGF1RENPP2PTGS2SCN9ATAS2R8
SCHEMBL2938826 0.80 IGF1R (0.41) IGF1RENPP2SCN9ATAS2R8PPARD
SCHEMBL2937993 0.80 IGF1R (0.40) IGF1RENPP2PTGS2SCN9ATAS2R8
SCHEMBL2938324 0.80 IGF1R (0.42) IGF1RENPP2PTGS2SCN9ATAS2R8
SCHEMBL2940658 0.80 IGF1R (0.40) IGF1RENPP2PTGS2TAS2R8
SCHEMBL2931172 0.79 IGF1R (0.42) IGF1RENPP2PTGS2SCN9ATAS2R8
SCHEMBL3727186 0.79 ABL1 (0.37) ENPP2SCN9ASCN10ATAS2R8PPARD

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