SCHEMBL6201343

SCHEMBL6201343

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
IGF1R P08069 3/20 0.39
AR P10275 5/20 0.39
KMT2A Q03164 2/20 0.36
THRB P10828 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 2/20 0.34
TP53 P04637 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
PGR P06401 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL6177630 0.88 IGF1R (0.39) IGF1RARKMT2ATHRBMAPT
SCHEMBL6175911 0.87 THRB (0.38) PTGS2IGF1RARKMT2ATHRB
SCHEMBL6175073 0.87 IGF1R (0.38) IGF1RARKMT2ATHRBMAPT
SCHEMBL6203204 0.87 IGF1R (0.40) IGF1RARKMT2ATHRBMAPT
SCHEMBL6175022 0.86 IGF1R (0.40) PTGS2IGF1RARKMT2ATHRB
SCHEMBL6172914 0.86 IGF1R (0.38) PTGS2IGF1RARKMT2ATHRB
SCHEMBL6207888 0.86 IGF1R (0.40) IGF1RARKMT2ATHRBCYP2C9
SCHEMBL6174119 0.85 PTGS2 (0.37) PTGS2IGF1RARKMT2ATHRB
SCHEMBL6174586 0.84 TP53 (0.39) PTGS2IGF1RARKMT2ATP53
SCHEMBL6171849 0.84 IGF1R (0.39) IGF1RARKMT2ACYP2C9TP53

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