SCHEMBL13618006

SCHEMBL13618006

CNc1ccc(Oc2ccnc(C(=O)NCCOC)c2)cc1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.45
LOX P28300 4/20 0.45
KDR P35968 4/20 0.43
SCN9A Q15858 2/20 0.43
SCN10A Q9Y5Y9 2/20 0.43
RAF1 P04049 5/20 0.42
BRAF P15056 3/20 0.42
CSF1R P07333 1/20 0.41
PTGER4 P35408 1/20 0.40
EPHX2 P34913 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
AURKA O14965 1/20 0.39
MET P08581 1/20 0.39
TEK Q02763 1/20 0.39

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
SCHEMBL12355378 0.91 RAF1 (0.49) KDRRAF1BRAFCSF1REPHX2
Ammonia Solution, Strong SCHEMBL1218414 0.85 KDR (0.58) KDRRAF1BRAFCSF1REPHX2
SCHEMBL1219701 0.85 KDR (0.58) KDRRAF1BRAFCSF1REPHX2
SCHEMBL12355361 0.83 LOX (0.46) LOXL2LOXKDRSCN9ASCN10A
SCHEMBL2891935 0.81 KDR (0.44) KDRRAF1BRAFEPHX2
SCHEMBL5764943 0.81 RAF1 (0.47) KDRRAF1BRAFEPHX2
SCHEMBL13211296 0.79 SMN1; SMN2 (0.52) SCN9A
SCHEMBL2893097 0.78 RAF1 (0.48) KDRRAF1BRAFEPHX2TEK
SCHEMBL2892341 0.76 RAF1 (0.42) KDRRAF1BRAFEPHX2AURKA
SCHEMBL13617889 0.76 RAF1 (0.53) KDRRAF1BRAFCSF1REPHX2

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