SCHEMBL6173023

SCHEMBL6173023

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.38
PDE2A O00408 5/20 0.37
SCN9A Q15858 5/20 0.37
FPR2 P25090 3/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP3A4 P08684 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GPR139 Q6DWJ6 1/20 0.36
AR P10275 1/20 0.35
ABL1 P00519 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PLA2G10 O15496 1/20 0.35
PLA2G2A P14555 1/20 0.35
PLA2G5 P39877 1/20 0.35
RAF1 P04049 1/20 0.34
EPHX2 P34913 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
SCHEMBL4849527 0.93 PDE2A (0.37) PDE2ASCN9APOLBL3MBTL1CYP3A4
SCHEMBL6174541 0.89 SLC5A1 (0.40) PDE2APOLBL3MBTL1CYP3A4GAA
SCHEMBL6171821 0.88 PDE2A (0.39) PDE2APOLBL3MBTL1CYP3A4GAA
SCHEMBL17558396 0.86 POLB (0.39) PDE2ASCN9APOLBL3MBTL1CYP3A4
SCHEMBL6174008 0.86 POLB (0.41) PDE2ASCN9APOLBL3MBTL1CYP3A4
SCHEMBL6178301 0.85 EPHX2 (0.41) GPR139ABL1EPHX2
SCHEMBL6173212 0.85 ADRB3 (0.40) IGF1RPDE2ASCN9APOLBL3MBTL1
SCHEMBL6175359 0.85 POLB (0.38) PDE2ASCN9APOLBL3MBTL1CYP3A4
SCHEMBL6174854 0.85 POLB (0.36) PDE2APOLBL3MBTL1CYP3A4GAA
SCHEMBL6174717 0.85 IGF1R (0.54) IGF1RPDE2A

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