SCHEMBL13618004

SCHEMBL13618004

C=C(NC)c1cc(Oc2ccc3[nH]c(Nc4cccc(-c5ccncc5C(F)(F)F)c4)nc3c2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.52
RAF1 P04049 13/20 0.52
KDR P35968 5/20 0.49
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL2895452 0.91 BRAF (0.64) BRAFRAF1KDR
SCHEMBL2890212 0.75 BRAF (0.76) BRAFRAF1KDR
SCHEMBL3021926 0.75 BRAF (0.87) BRAFRAF1KDR
SCHEMBL3020535 0.74 RAF1 (0.65) BRAFRAF1KDR
SCHEMBL2887019 0.73 RAF1 (0.66) BRAFRAF1KDR
SCHEMBL2891998 0.73 RAF1 (0.72) BRAFRAF1KDR
SCHEMBL2887048 0.73 RAF1 (0.65) BRAFRAF1KDR
SCHEMBL2891608 0.73 RAF1 (0.72) BRAFRAF1KDR
SCHEMBL4363514 0.72 RAF1 (0.88) BRAFRAF1KDR
SCHEMBL2890209 0.72 RAF1 (0.77) BRAFRAF1KDR

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