SCHEMBL13618011

SCHEMBL13618011

Cc1ccc(Nc2nc3cc(Oc4ccnc(C(=O)NCCCN5CCCC5=O)c4)ccc3n2CI)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 11/20 0.54
BRAF P15056 10/20 0.54
P2RX3 P56373 4/20 0.47
SCN9A Q15858 1/20 0.44
KDR P35968 1/20 0.44
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL2893386 0.92 RAF1 (0.64) RAF1BRAFKDR
SCHEMBL13210278 0.86 RAF1 (0.63) RAF1BRAFP2RX3KDR
SCHEMBL13210202 0.86 RAF1 (0.75) RAF1BRAFKDR
SCHEMBL2893229 0.84 RAF1 (0.61) RAF1BRAFSCN9AKDR
SCHEMBL13838702 0.84 RAF1 (0.61) RAF1BRAFKDR
SCHEMBL2892774 0.83 RAF1 (0.62) RAF1BRAFKDR
SCHEMBL2890457 0.83 RAF1 (0.63) RAF1BRAFKDRSMN1; SMN2
SCHEMBL13211302 0.82 BRAF (0.58) RAF1BRAFSCN9AKDR
SCHEMBL13504221 0.82 BRAF (0.57) RAF1BRAFKDR
SCHEMBL2892113 0.82 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