SCHEMBL6173728

SCHEMBL6173728

CC1(Cc2ccnc(NC(=O)Nc3ccccc3)c2)NC(=O)N(c2ccc(OC(F)(F)F)cc2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
EPHX2 P34913 2/20 0.42
PTGS2 P35354 1/20 0.42
KDR P35968 3/20 0.40
BRAF P15056 4/20 0.40
IGF1R P08069 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NAMPT P43490 3/20 0.40
MAPK8 P45983 1/20 0.40
P2RY1 P47900 3/20 0.39
KIT P10721 1/20 0.39
RAF1 P04049 1/20 0.39
IDH1 O75874 1/20 0.39

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
SCHEMBL6175032 0.92 MAPK1 (0.43) MEN1KMT2AEPHX2PTGS2BRAF
SCHEMBL6171765 0.89 IGF1R (0.41) MEN1KMT2AEPHX2PTGS2KDR
SCHEMBL6175174 0.88 ABL1 (0.47) MEN1KMT2AEPHX2PTGS2KDR
SCHEMBL6173148 0.85 IGF1R (0.40) KMT2AEPHX2PTGS2KDRIGF1R
SCHEMBL6172735 0.85 IGF1R (0.42) EPHX2KDRIGF1R
SCHEMBL6177003 0.85 TDP1 (0.42) KMT2AKDRBRAFIGF1RKIT
SCHEMBL6177217 0.85 TLR7 (0.39) IGF1RNAMPT
SCHEMBL6173624 0.85 IGF1R (0.42) KDRIGF1RNAMPT
SCHEMBL6172079 0.84 IGF1R (0.47) KMT2AIGF1R
SCHEMBL6174016 0.84 IGF1R (0.41) KDRIGF1R

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