SCHEMBL5327733

SCHEMBL5327733

COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc2c1ncn2Cc1ccncc1C

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.44
KDR P35968 4/20 0.44
TEK Q02763 3/20 0.44
EPHB4 P54760 1/20 0.44
BRAF P15056 1/20 0.43
NR1H4 Q96RI1 1/20 0.40
NAMPT P43490 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP17A1 P05093 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK14 Q16539 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
SCHEMBL2889266 0.88 KDR (0.51) RAF1KDRTEKEPHB4BRAF
SCHEMBL2886220 0.79 KDR (0.45) RAF1KDRTEKEPHB4BRAF
SCHEMBL5327725 0.78 BRAF (0.45) RAF1KDRTEKEPHB4BRAF
SCHEMBL5959783 0.76 KDR (0.51) RAF1KDRTEKEPHB4BRAF
SCHEMBL2889242 0.75 EPHB4 (0.49) KDRTEKEPHB4NR1H4KDM4E
SCHEMBL4318407 0.74 KDR (0.51) RAF1KDRTEKEPHB4BRAF
SCHEMBL5592761 0.74 KMT2A (0.49) EPHB4KDM4EMAPK1
SCHEMBL5593089 0.73 EPHB4 (0.54) RAF1KDRTEKEPHB4BRAF
SCHEMBL2884845 0.73 KDM4E (0.48) KDRTEKEPHB4KDM4ESMN1; SMN2
SCHEMBL5959855 0.71 KDR (0.45) RAF1KDRTEKEPHB4BRAF

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007024294-A2 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. (US) 2007-03-01 WO claimed