SCHEMBL6173499

SCHEMBL6173499

CC1(Cc2ccnc(C(=O)NN3CCOCC3)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 2/20 0.38
SCN2A Q99250 1/20 0.37
SCN10A Q9Y5Y9 1/20 0.37
SCN9A Q15858 1/20 0.36
ABL1 P00519 5/20 0.36
KCNH2 Q12809 1/20 0.36
GPR139 Q6DWJ6 1/20 0.35
ALK Q9UM73 2/20 0.35
ROS1 P08922 1/20 0.35
CYP2C9 P11712 2/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAF1 P04049 2/20 0.34
EPHX2 P34913 3/20 0.34
MET P08581 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
SCHEMBL6172198 0.88 EPHX2 (0.43) IGF1RABL1EPHX2
SCHEMBL6172261 0.86 IGF1R (0.49) IGF1RSCN9AABL1CYP2C9CYP3A4
SCHEMBL6177034 0.83 IGF1R (0.40) IGF1RCYP2C9CYP3A4GAACYP2C19
SCHEMBL2942458 0.83 IGF1R (0.57) IGF1R
SCHEMBL6175174 0.83 ABL1 (0.47) IGF1RABL1RAF1EPHX2
SCHEMBL6175674 0.82 EPHX2 (0.42) IGF1RSCN9AEPHX2
SCHEMBL6176618 0.81 SCN2A (0.38) SCN2ASCN10AABL1KCNH2GPR139
SCHEMBL6172594 0.81 AR (0.40) IGF1RABL1CYP2C9CYP3A4GAA
SCHEMBL6173342 0.81 ABL1 (0.40) IGF1RABL1ALKROS1EPHX2
SCHEMBL6171575 0.80 IGF1R (0.40) IGF1RSCN9ACYP2C9CYP3A4GAA

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