SCHEMBL6172914

SCHEMBL6172914

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 3/20 0.38
AR P10275 2/20 0.37
KMT2A Q03164 2/20 0.34
TRPV3 Q8NET8 4/20 0.34
CYP2C9 P11712 3/20 0.33
HRH4 Q9H3N8 1/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
GAA P10253 1/20 0.33
LMNA P02545 3/20 0.32
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32
RAB9A P51151 1/20 0.32
PDE4D Q08499 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
SCHEMBL6175019 0.88 DPP4 (0.37) IGF1RARKMT2ATRPV3CYP2C9
SCHEMBL6173852 0.88 IGF1R (0.37) IGF1RARKMT2ATRPV3HRH4
SCHEMBL6175941 0.86 PTGS2 (0.39) IGF1RARLMNASMN1; SMN2HTT
SCHEMBL6172497 0.86 IGF1R (0.37) IGF1RARKMT2ATRPV3CYP2C9
SCHEMBL6177630 0.86 IGF1R (0.39) IGF1RARKMT2ATRPV3CYP2C9
SCHEMBL6201343 0.86 PTGS2 (0.40) IGF1RARKMT2ATRPV3CYP2C9
SCHEMBL6207888 0.85 IGF1R (0.40) IGF1RARKMT2ATRPV3CYP2C9
SCHEMBL6175022 0.85 IGF1R (0.40) IGF1RARKMT2ATRPV3CYP2C9
SCHEMBL6175494 0.85 IGF1R (0.35) IGF1RARKMT2ATRPV3HRH4
SCHEMBL6173425 0.84 LMNA (0.38) IGF1RKMT2ACYP3A4GAALMNA

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