SCHEMBL6183229

SCHEMBL6183229

COc1c(N2CCN(C)CC2)ccc2c(Nc3ccc(Oc4ccccc4)cc3)c(C#N)cnc12

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.57
RAF1 P04049 10/20 0.57
SRC P12931 3/20 0.49
MAPK3 P27361 1/20 0.49
MAPK1 P28482 1/20 0.49
MAPK13 O15264 1/20 0.46
MAP3K8 P41279 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
MAPK14 Q16539 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PRKCQ Q04759 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
SCHEMBL6382824 0.82 MAP2K1 (0.68) MAP2K1RAF1SRCMAPK3MAPK1
SCHEMBL6182253 0.82 MAP2K1 (0.73) MAP2K1RAF1MAPK3MAPK1
SCHEMBL5256805 0.79 MAP2K1 (0.66) MAP2K1RAF1SRCMAPK3MAPK1
SCHEMBL7001258 0.77 MAP2K1 (0.57) MAP2K1RAF1MAPK3MAPK1PRKCQ
SCHEMBL6184752 0.76 ABL1 (0.52) MAP2K1RAF1SRCMAPK3MAPK1
SCHEMBL7000639 0.74 MAP2K1 (0.53) MAP2K1RAF1SRCMAPK3MAPK1
SCHEMBL6384883 0.74 MAP2K1 (0.71) MAP2K1RAF1SRCPRKCQ
SCHEMBL5253282 0.74 MAP2K1 (0.69) MAP2K1RAF1SRCMAPK13MAP3K8
SCHEMBL25920182 0.72 MAP2K1 (0.85) MAP2K1RAF1SRCMAPK3MAPK1
SCHEMBL7000844 0.72 MAP2K1 (0.67) MAP2K1RAF1SRCMAPK3MAPK1

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-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP claimed