SCHEMBL6170701

SCHEMBL6170701

CCOc1cnccc1C(C)C1(C(C)c2ccncc2OCC)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
AR P10275 2/20 0.32
NAMPT P43490 1/20 0.32
TRPV3 Q8NET8 2/20 0.32
MAPT P10636 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL6175242 0.90 IGF1R (0.38) IGF1RRXFP1CYP3A4GAACYP2C9
SCHEMBL6173750 0.86 KMT2A (0.39) IGF1RPTGS2KMT2ACYP3A4GAA
SCHEMBL6176692 0.86 KMT2A (0.36) IGF1RKMT2ACYP3A4GAACYP2C9
SCHEMBL6172647 0.85 CYP3A4 (0.35) IGF1RRXFP1KMT2ACYP3A4GAA
SCHEMBL2941010 0.85 CYP3A4 (0.36) CYP3A4GAACYP2C9CYP2C19ALDH1A1
SCHEMBL6173546 0.85 KMT2A (0.36) IGF1RPTGS2KMT2ACYP3A4GAA
SCHEMBL6174716 0.85 KMT2A (0.36) IGF1RKMT2ACYP3A4GAACYP2C9
SCHEMBL6177840 0.84 IGF1R (0.43) IGF1RAR
SCHEMBL6177145 0.84 IGF1R (0.40) IGF1RKMT2ACYP3A4GAACYP2C9
SCHEMBL6172519 0.84 IGF1R (0.38) IGF1RKMT2ACYP3A4GAACYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1599464-A2 NOVEL CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-11-30 EP disclosed
WO-2004070050-A2 CYCLIC UREA DERIVATIVES, PREPARATION METHOD THEREOF AND PHARMACEUTICAL USE OF SAME AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-08-19 WO disclosed