SCHEMBL6997455

SCHEMBL6997455

COc1c(OCCCc2ccncc2)ccc2c(Nc3ccc4c(c3)NCC4)c(C#N)cnc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.42
SRC P12931 12/20 0.41
EGFR P00533 2/20 0.40
ERBB2 P04626 1/20 0.40
WEE2 P0C1S8 1/20 0.37
WEE1 P30291 1/20 0.37
PKMYT1 Q99640 1/20 0.37
MAP3K8 P41279 1/20 0.37
STK4 Q13043 1/20 0.37
PRKCQ Q04759 1/20 0.36

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
SCHEMBL6989870 0.87 EGFR (0.49) MAP2K1SRCEGFRERBB2PRKCQ
SCHEMBL4450574 0.85 MAP2K1 (0.58) MAP2K1SRCEGFRERBB2
SCHEMBL6999979 0.82 EGFR (0.44) MAP2K1SRCEGFRERBB2STK4
SCHEMBL4455183 0.74 EGFR (0.69) MAP2K1SRCEGFRERBB2
SCHEMBL7001584 0.73 MAP2K1 (0.73) MAP2K1EGFRERBB2
SCHEMBL6998602 0.71 MAP2K1 (0.62) MAP2K1SRCEGFRERBB2
SCHEMBL6381073 0.71 EGFR (0.69) MAP2K1SRCEGFRERBB2PRKCQ
SCHEMBL4448819 0.71 EGFR (0.62) MAP2K1SRCEGFRERBB2STK4
SCHEMBL6997360 0.71 MAP2K1 (0.64) MAP2K1SRCEGFRERBB2
SCHEMBL7000865 0.70 SRC (0.43) SRCEGFRERBB2WEE2WEE1

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-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed