SCHEMBL5313344

SCHEMBL5313344

COc1cc(Nc2c(C#N)cnc3cc(-c4cccc(CN5CCN(CCO)CC5)c4)ccc23)cc(OC)c1OC

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.70
FYN P06241 2/20 0.57
EGFR P00533 2/20 0.52
MAP2K1 Q02750 1/20 0.52
GAK O14976 1/20 0.52
ABL1 P00519 1/20 0.51
ABL2 P42684 1/20 0.51

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
SCHEMBL3221052 0.94 SRC (0.79) SRCFYNABL1ABL2
SCHEMBL3224394 0.91 SRC (0.68) SRCFYNEGFRMAP2K1GAK
SCHEMBL3219495 0.90 SRC (0.67) SRCFYNEGFRMAP2K1GAK
SCHEMBL3220055 0.90 SRC (0.75) SRCFYNEGFRMAP2K1
SCHEMBL5311254 0.89 SRC (0.88) SRCFYNEGFRMAP2K1
SCHEMBL5257706 0.87 SRC (0.62) SRCFYNEGFRMAP2K1GAK
SCHEMBL3213103 0.86 SRC (0.85) SRCFYNEGFRMAP2K1ABL1
SCHEMBL5311257 0.86 SRC (0.63) SRCFYNEGFRGAKABL1
SCHEMBL3225510 0.85 SRC (0.75) SRCFYNEGFRMAP2K1GAK
SCHEMBL3228521 0.85 SRC (0.67) SRCFYNEGFRGAK

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