SCHEMBL6995934

SCHEMBL6995934

COc1c(OCCCN2CCOCC2)ccc2c(Nc3ccc(Oc4ccccn4)cc3)c(C#N)cnc12

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.62
RAF1 P04049 3/20 0.62
MAPK3 P27361 1/20 0.62
MAPK1 P28482 1/20 0.62
IGF1R P08069 2/20 0.51
SRC P12931 1/20 0.49

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
SCHEMBL6995035 0.90 MAP2K1 (0.73) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL7001142 0.89 MAP2K1 (0.65) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL7002867 0.88 MAP2K1 (0.64) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL7000844 0.88 MAP2K1 (0.67) MAP2K1RAF1MAPK3MAPK1SRC
SCHEMBL7003202 0.87 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL6994143 0.86 MAP2K1 (0.73) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL6995929 0.85 MAP2K1 (0.85) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL7001584 0.84 MAP2K1 (0.73) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL7003056 0.83 MAP2K1 (0.58) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL7003639 0.83 MAP2K1 (0.64) MAP2K1RAF1MAPK3MAPK1IGF1R

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