SCHEMBL13617889

SCHEMBL13617889

CCNC(=O)c1cc(Oc2ccc(N)c(N)c2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 9/20 0.53
BRAF P15056 5/20 0.52
MET P08581 2/20 0.48
KDR P35968 4/20 0.46
NR4A1 P22736 1/20 0.44
EPHX2 P34913 1/20 0.42
CSF1R P07333 1/20 0.41

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
SCHEMBL619963 0.88 RAF1 (0.57) RAF1BRAFMETKDREPHX2
SCHEMBL940461 0.85 KDR (0.62) RAF1BRAFMETKDREPHX2
SCHEMBL6014106 0.84 RAF1 (0.58) RAF1BRAFMETKDREPHX2
SCHEMBL10283832 0.79 RAF1 (0.49) RAF1BRAFMET
SCHEMBL28790568 0.79 NR4A1 (0.53) BRAFKDRNR4A1
SCHEMBL27576048 0.77 RAF1 (0.51) RAF1BRAFMETKDR
SCHEMBL12355378 0.77 RAF1 (0.49) RAF1BRAFMETKDREPHX2
SCHEMBL12355361 0.76 LOX (0.46) RAF1BRAFMETKDREPHX2
SCHEMBL19462304 0.76 PARP1 (0.44) RAF1BRAFCSF1R
SCHEMBL13618006 0.76 LOXL2 (0.45) RAF1BRAFMETKDREPHX2

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
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 EP disclosed