SCHEMBL13618093

SCHEMBL13618093

Cc1nc2cc(Oc3ccc4c(c3)nc(Nc3ccc(Br)cc3)n4C)ccc2n1C

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 12/20 0.66
BRAF P15056 16/20 0.63
KDR P35968 2/20 0.59
MAPT P10636 1/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL13211387 0.94 RAF1 (0.72) RAF1BRAFKDRNPC1RAB9A
SCHEMBL2886105 0.88 RAF1 (0.66) RAF1BRAFKDRNPC1RAB9A
SCHEMBL13838889 0.88 RAF1 (0.66) RAF1BRAFKDRNPC1RAB9A
SCHEMBL2906212 0.87 RAF1 (0.70) RAF1BRAFKDR
SCHEMBL13211399 0.80 BRAF (0.68) RAF1BRAFKDRNPC1RAB9A
SCHEMBL2893834 0.80 RAF1 (0.71) RAF1BRAFKDR
SCHEMBL13618151 0.80 RAF1 (0.68) RAF1BRAFKDR
SCHEMBL2895305 0.80 RAF1 (0.71) RAF1BRAFKDR
SCHEMBL2901751 0.80 RAF1 (0.71) RAF1BRAFKDR
SCHEMBL2893047 0.80 RAF1 (0.85) RAF1BRAFKDR

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