SCHEMBL5304147

SCHEMBL5304147

Cc1cc(-c2csc(CNCCCN3CCOCC3)c2)cc(Cl)c1Nc1c(C#N)cnc2cc(Cc3csc(CNCCCN4CCOCC4)c3)ccc12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 15/20 0.49
MAP2K1 Q02750 5/20 0.45
FYN P06241 2/20 0.44
EGFR P00533 1/20 0.44
MAP3K8 P41279 1/20 0.43

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
SCHEMBL3223162 0.92 SRC (0.58) SRCMAP2K1FYNEGFRMAP3K8
SCHEMBL3215862 0.86 SRC (0.58) SRCMAP2K1FYNEGFRMAP3K8
SCHEMBL3223428 0.82 SRC (0.59) SRCMAP2K1FYNEGFR
SCHEMBL6739314 0.82 SRC (0.57) SRCMAP2K1FYNEGFR
SCHEMBL3229483 0.80 SRC (0.72) SRCMAP2K1FYNEGFR
SCHEMBL3229269 0.80 SRC (0.56) SRCMAP2K1FYNEGFR
SCHEMBL3231242 0.79 MAP2K1 (0.61) SRCMAP2K1FYNEGFRMAP3K8
SCHEMBL3215925 0.78 SRC (0.55) SRCMAP2K1FYNEGFRMAP3K8
SCHEMBL3223410 0.77 SRC (0.69) SRCMAP2K1FYNEGFR
SCHEMBL3228144 0.76 MAP2K1 (0.53) SRCMAP2K1FYNEGFRMAP3K8

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