SCHEMBL7002867

SCHEMBL7002867

COc1c(OCCCN2CCOCC2)ccc2c(Nc3ccc(Oc4cccnc4)cc3)c(C#N)cnc12

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.64
RAF1 P04049 3/20 0.64
MAPK3 P27361 1/20 0.64
MAPK1 P28482 1/20 0.64
IGF1R P08069 2/20 0.50
MAPK13 O15264 1/20 0.50
SRC P12931 1/20 0.50
MAP3K8 P41279 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 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
SCHEMBL6995035 0.93 MAP2K1 (0.73) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL7000844 0.91 MAP2K1 (0.67) MAP2K1RAF1MAPK3MAPK1MAPK13
SCHEMBL7001142 0.89 MAP2K1 (0.65) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL6998933 0.88 MAP2K1 (0.75) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL6995934 0.88 MAP2K1 (0.62) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL6991654 0.85 MAP2K1 (0.87) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL7001584 0.85 MAP2K1 (0.73) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL7003639 0.84 MAP2K1 (0.64) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL6994143 0.84 MAP2K1 (0.73) MAP2K1RAF1MAPK3MAPK1IGF1R
SCHEMBL6184752 0.84 ABL1 (0.52) MAP2K1RAF1MAPK3MAPK1SRC

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