SCHEMBL5258564

SCHEMBL5258564

COc1cc(Nc2c(C#N)cnc3c(OC)c(-c4cccc(CCN5CCOCC5)c4)ccc23)c(Cl)cc1Cl

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.78
EGFR P00533 1/20 0.60
FYN P06241 1/20 0.60
MAP2K1 Q02750 1/20 0.60
ABL1 P00519 1/20 0.57
BCR P11274 1/20 0.57

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
SCHEMBL5255736 0.92 SRC (0.77) SRCEGFRFYNMAP2K1
SCHEMBL3219384 0.88 SRC (1.00) SRCEGFRFYNMAP2K1ABL1
SCHEMBL3229833 0.87 SRC (1.00) SRCEGFRFYNMAP2K1
SCHEMBL5255620 0.87 SRC (0.76) SRCEGFRFYNMAP2K1
SCHEMBL5258555 0.83 SRC (0.76) SRCEGFRFYNMAP2K1
SCHEMBL6184537 0.81 SRC (0.65) SRCEGFRFYNMAP2K1ABL1
SCHEMBL5256421 0.81 SRC (0.72) SRCEGFRFYNMAP2K1ABL1
SCHEMBL3230437 0.81 SRC (1.00) SRCEGFRFYNMAP2K1
SCHEMBL3228183 0.80 SRC (1.00) SRCEGFRFYNMAP2K1
SCHEMBL3230024 0.80 SRC (1.00) SRCEGFRFYNMAP2K1

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-1268431-B1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH CORP (US) 2007-08-29 EP claimed