SCHEMBL9101063

SCHEMBL9101063

CSc1ccc(Nc2c(OC(=O)NOC[C@H](O)CO)cc3ccncn23)c(F)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.43
KCNH2 Q12809 2/20 0.42
MAP2K2 P36507 2/20 0.37
BRAF P15056 1/20 0.37
MAPK1 P28482 1/20 0.37
MAP2K5 Q13163 1/20 0.37

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
SCHEMBL9103558 0.89 KCNH2 (0.47) MAP2K1KCNH2MAP2K2MAP2K5
SCHEMBL9101056 0.88 MAP2K1 (0.53) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL1976550 0.87 MAP2K1 (0.52) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL12590281 0.79 KCNH2 (0.55) MAP2K1KCNH2MAP2K2MAPK1MAP2K5
SCHEMBL15234371 0.76 KCNH2 (0.59) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL9104105 0.76 KCNH2 (0.62) MAP2K1KCNH2MAP2K2MAP2K5
SCHEMBL15234331 0.76 CYP2C9 (0.59) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL1977165 0.75 KCNH2 (0.59) MAP2K1KCNH2MAP2K2MAP2K5
SCHEMBL1977779 0.74 MAP2K1 (0.66) MAP2K1KCNH2MAP2K2BRAFMAPK1
SCHEMBL9885440 0.74 KCNH2 (0.53) MAP2K1KCNH2MAP2K2MAP2K5

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-2220092-B1 AZAINDOLIZINES AND METHODS OF USE GENENTECH INC (US) 2012-06-06 EP claimed