SCHEMBL2938561

SCHEMBL2938561

CC(=O)NC(c1ccncc1)N1C(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C(=O)C1(C)C.c1cc2cc-2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 6/20 0.42
NAMPT P43490 1/20 0.33
EPHX2 P34913 2/20 0.32
AR P10275 1/20 0.32
PTGS2 P35354 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV3 Q8NET8 2/20 0.30
CYP3A4 P08684 1/20 0.30
GAA P10253 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL2939980 0.85 CTSD (0.37) IGF1REPHX2PTGS2CYP3A4GAA
SCHEMBL2939889 0.83 IGF1R (0.32) IGF1RMEN1KMT2A
SCHEMBL2937249 0.82 IGF1R (0.47) IGF1RNAMPTARMEN1KMT2A
SCHEMBL2940492 0.82 IGF1R (0.42) IGF1REPHX2MEN1KMT2A
SCHEMBL2940341 0.80 IGF1R (0.40) IGF1RNAMPTMEN1KMT2ACYP2C19
SCHEMBL6173915 0.79 IGF1R (0.41) IGF1R
SCHEMBL6173623 0.76 IGF1R (0.38) IGF1RNAMPTMEN1KMT2ACYP3A4
SCHEMBL2937313 0.68 CACNA1G (0.41) IGF1RNAMPTEPHX2PTGS2GAA
SCHEMBL2938270 0.68 ACACB (0.37)
SCHEMBL6173451 0.68 IGF1R (0.41) IGF1RTRPV3CYP2C9

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