SCHEMBL6174119

SCHEMBL6174119

CC(c1ccnc(-c2cccc(Cl)c2)c1)C1(C(C)c2ccnc(-c3cccc(Cl)c3)c2)NC(=O)N(c2ccc(S(=O)(=O)C(F)(F)F)cc2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.37
IGF1R P08069 2/20 0.37
PTGS1 P23219 1/20 0.35
AR P10275 3/20 0.34
THRB P10828 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
HTT P42858 1/20 0.31
KMO O15229 1/20 0.31

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
SCHEMBL6175911 0.91 THRB (0.38) PTGS2IGF1RPTGS1ARTHRB
SCHEMBL6174586 0.86 TP53 (0.39) PTGS2IGF1RPTGS1ARKMT2A
SCHEMBL6201343 0.85 PTGS2 (0.40) PTGS2IGF1RARTHRBMAPT
SCHEMBL6175398 0.84 GRM5 (0.43) MAPTCYP2C9KMT2A
SCHEMBL6177630 0.81 IGF1R (0.39) IGF1RARTHRBMAPTCYP2C9
SCHEMBL6177662 0.80 IGF1R (0.40) PTGS2IGF1RPTGS1ARTHRB
SCHEMBL6177664 0.80 IGF1R (0.37) PTGS2IGF1RPTGS1MAPKAPK2KMT2A
SCHEMBL6203204 0.80 IGF1R (0.40) IGF1RARTHRBMAPTCYP2C9
SCHEMBL6175073 0.80 IGF1R (0.38) IGF1RARTHRBMAPTCYP2C9
SCHEMBL6207888 0.79 IGF1R (0.40) IGF1RARTHRBCYP2C9KMT2A

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