SCHEMBL6993853

SCHEMBL6993853

COc1c(OCCCN2CCOCC2)ccc2c(Nc3ccc(Cn4ccnn4)cc3)c(C#N)cnc12

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.57
IGF1R P08069 2/20 0.53
MAPK3 P27361 2/20 0.52
MAPK1 P28482 2/20 0.52
RAF1 P04049 1/20 0.52
EGFR P00533 1/20 0.52
ERBB2 P04626 1/20 0.52
MAP3K1 Q13233 1/20 0.50

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
SCHEMBL6999043 0.90 MAP2K1 (0.56) MAP2K1IGF1RMAPK3MAPK1RAF1
SCHEMBL7003056 0.88 MAP2K1 (0.58) MAP2K1IGF1RMAPK3MAPK1RAF1
SCHEMBL4454670 0.86 MAP2K1 (0.76) MAP2K1IGF1RMAPK3MAPK1RAF1
SCHEMBL7001584 0.86 MAP2K1 (0.73) MAP2K1IGF1RMAPK3MAPK1RAF1
SCHEMBL6994143 0.85 MAP2K1 (0.73) MAP2K1IGF1RMAPK3MAPK1RAF1
SCHEMBL6998933 0.83 MAP2K1 (0.75) MAP2K1IGF1RMAPK3MAPK1RAF1
SCHEMBL7003202 0.83 MAP2K1 (0.75) MAP2K1IGF1RMAPK3MAPK1RAF1
SCHEMBL6995035 0.83 MAP2K1 (0.73) MAP2K1IGF1RMAPK3MAPK1RAF1
SCHEMBL6993524 0.83 MAP2K1 (0.76) MAP2K1IGF1RMAPK3MAPK1RAF1
SCHEMBL7001922 0.83 MAP2K1 (0.59) MAP2K1IGF1RMAPK3MAPK1RAF1

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