SCHEMBL12329516

SCHEMBL12329516

CNc1ccc(Oc2ccnc(N)c2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 3/20 0.50
▸ NOS1 P29475 3/20 0.50
▸ NOS2 P35228 3/20 0.50
▸ MAPK14 Q16539 2/20 0.42
▸ SCN9A Q15858 4/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ NR4A1 P22736 1/20 0.40
▸ PRKCI P41743 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MET P08581 4/20 0.38
▸ BRAF P15056 2/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ FEN1 P39748 1/20 0.36
▸ P2RX3 P56373 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ SCN5A Q14524 1/20 0.35

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
SCHEMBL1435338 0.82 ALOX5AP (0.42) SCN9ANR4A1PRKCIALOX5APFEN1
SCHEMBL2890910 0.81 P2RX3 (0.38) NOS3NOS1NOS2MAPK14SCN9A
SCHEMBL2891935 0.80 KDR (0.44) PRKCIKDM4EBRAFP2RX3
SCHEMBL5764943 0.80 RAF1 (0.47) PRKCIBRAFP2RX3
Ammonia Solution, Strong SCHEMBL1218414 0.79 KDR (0.58) MAPK14BRAF
SCHEMBL13838687 0.79 KDR (0.34) MAPK14SCN9ANR4A1PRKCIKDM4E
SCHEMBL1219701 0.79 KDR (0.58) MAPK14BRAF
SCHEMBL4326964 0.79 HCAR3 (0.44) NOS3NOS1NOS2MAPK14MEN1
SCHEMBL2891666 0.78 KDM4E (0.44) MAPK14SCN9ANR4A1PRKCIKDM4E
SCHEMBL2891665 0.78 KDM4E (0.44) MAPK14SCN9ANR4A1PRKCIKDM4E

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926722-B1 SUBSTITUTED BENZIMIDAZOLES AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-09-28 — — EP disclosed
EP-1924577-B1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF PREPARATION NOVARTIS AG (CH) 2011-03-30 — — EP disclosed
EP-1499311-B1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2009-11-04 — — EP disclosed
WO-2007030377-A1 SUBSTITUTED BENZIMIDAZOLES AS KINASE INHIBITORS NOVARTIS AG (CH) 2007-03-15 — — WO disclosed
WO-2007027950-A1 SUBSTITUTED BENZIMIDAZOLES AND METHODS OF PREPARATION NOVARTIS AG (CH) 2007-03-08 — — WO disclosed
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