SCHEMBL7003384

SCHEMBL7003384

COc1c(OCCCN2CCOCC2)ccc2c(Nc3ccc(Cc4ccoc4)cc3)c(C#N)cnc12

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.74
RAF1 P04049 2/20 0.52
MAPK3 P27361 1/20 0.52
MAPK1 P28482 1/20 0.52
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
IGF1R P08069 1/20 0.49
SRC P12931 1/20 0.48

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
SCHEMBL7001584 0.90 MAP2K1 (0.73) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL7003574 0.88 MAP2K1 (0.74) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL6998933 0.88 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL6992075 0.88 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL6994143 0.86 MAP2K1 (0.73) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL7003202 0.86 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL6995302 0.86 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL7001922 0.85 MAP2K1 (0.59) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL4448999 0.85 MAP2K1 (1.00) MAP2K1RAF1MAPK3MAPK1EGFR
SCHEMBL7003056 0.85 MAP2K1 (0.58) MAP2K1RAF1MAPK3MAPK1EGFR

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