SCHEMBL7096102

SCHEMBL7096102

COc1cc(Nc2ccnc3cc(-c4ccc(C5OCCO5)o4)ccc23)c(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.56
EGFR P00533 2/20 0.41
FYN P06241 2/20 0.41
MAP2K1 Q02750 1/20 0.41
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.39
NOD1 Q9Y239 1/20 0.39
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38

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
SCHEMBL6742765 0.84 SRC (0.48) SRCEGFRFYNMAP2K1
SCHEMBL3219544 0.82 SRC (0.68) SRCEGFRFYNMAP2K1
SCHEMBL7095265 0.82 SRC (0.54) SRCEGFRFYNMAP2K1GAK
SCHEMBL6745108 0.80 SRC (0.67) SRCEGFRFYNMAP2K1
SCHEMBL3321620 0.75 ERBB2 (0.53) EGFRRIPK2
SCHEMBL7015603 0.74 SRC (0.73) SRCEGFRGAKRIPK2NOD1
SCHEMBL7012160 0.74 SRC (0.73) SRCEGFRGAKRIPK2NOD1
SCHEMBL3224350 0.72 SRC (0.61) SRCEGFRFYNMAP2K1GAK
SCHEMBL7104720 0.71 SRC (0.72) SRCEGFRFYNMAP2K1
SCHEMBL7017167 0.70 SRC (0.58) SRCEGFRFYNGAKRIPK2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268431-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS Wyeth (US) 2003-01-02 EP disclosed
WO-2001072711-A1 3-CYANOQUINOLINES,3-CYANO-1,6-NAPHTHYRIDINES, AND 3-CYANO-1,7-NAPHTHYRIDINES AS PROTEIN KINASE INHIBITORS WYETH (US) 2001-10-04 WO disclosed