SCHEMBL13617689

SCHEMBL13617689

CSc1ccccc1Nc1nc2cc(Oc3ccnc(C(=O)N(C)C)c3)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 19/20 0.53
BRAF P15056 15/20 0.53
KDR P35968 2/20 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
SCHEMBL2886358 0.88 RAF1 (0.68) RAF1BRAFKDR
SCHEMBL2886921 0.80 RAF1 (0.68) RAF1BRAFKDR
SCHEMBL13209717 0.76 RAF1 (0.69) RAF1BRAFKDR
SCHEMBL13209754 0.76 RAF1 (0.68) RAF1BRAFKDR
SCHEMBL13209716 0.76 RAF1 (0.68) RAF1BRAFKDR
SCHEMBL1216772 0.75 RAF1 (0.67) RAF1BRAFKDR
SCHEMBL2896040 0.75 RAF1 (0.67) RAF1BRAFKDR
SCHEMBL2890466 0.74 RAF1 (0.87) RAF1BRAFKDR
SCHEMBL2892461 0.73 BRAF (0.68) RAF1BRAFKDR
SCHEMBL2891836 0.73 RAF1 (0.68) 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