SCHEMBL5253282

SCHEMBL5253282

N#Cc1cnc2c(ccc3ccccc32)c1Nc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.69
RAF1 P04049 9/20 0.69
MAPT P10636 1/20 0.48
MAPK13 O15264 1/20 0.47
SRC P12931 1/20 0.47
MAP3K8 P41279 1/20 0.47
MAPK12 P53778 1/20 0.47
MAPK11 Q15759 1/20 0.47
MAPK14 Q16539 1/20 0.47
PRKCQ Q04759 1/20 0.45

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
SCHEMBL27707570 0.82 MAP2K1 (1.00) MAP2K1RAF1MAPK13SRCMAP3K8
SCHEMBL5253113 0.81 MAP2K1 (0.82) MAP2K1RAF1MAPK13SRCMAP3K8
SCHEMBL5256805 0.81 MAP2K1 (0.66) MAP2K1RAF1SRCPRKCQ
SCHEMBL6382824 0.81 MAP2K1 (0.68) MAP2K1RAF1SRCPRKCQ
SCHEMBL5251382 0.78 MAP2K1 (0.64) MAP2K1RAF1MAPK13SRCMAP3K8
SCHEMBL5254322 0.78 MAP2K1 (0.64) MAP2K1RAF1MAPTMAPK13SRC
SCHEMBL5256370 0.77 EGFR (0.60) SRCMAP3K8MAPK14
SCHEMBL5256236 0.76 MAP2K1 (0.77) MAP2K1RAF1MAPK13SRCMAP3K8
SCHEMBL27709831 0.76 MAP2K1 (0.78) MAP2K1RAF1MAPK13SRCMAP3K8
SCHEMBL5254847 0.75 MAP2K1 (0.73) MAP2K1RAF1MAPK13SRCMAP3K8

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-1242382-B1 TRICYCLIC PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-02-07 EP claimed