SCHEMBL5257348

SCHEMBL5257348

COc1cc(Nc2c(C#N)cnc3cc(-c4cccc(CNCCO)c4)ccc23)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.56
EGFR P00533 2/20 0.55
GAK O14976 1/20 0.55
MAP2K1 Q02750 2/20 0.50
ERBB2 P04626 1/20 0.48

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
SCHEMBL3219412 0.93 SRC (0.58) SRCEGFRGAKMAP2K1ERBB2
SCHEMBL3212382 0.90 SRC (0.56) SRCEGFRGAKMAP2K1
SCHEMBL3228051 0.89 SRC (0.61) SRCEGFRGAKMAP2K1
SCHEMBL3231791 0.88 SRC (0.68) SRCEGFRGAK
SCHEMBL3222224 0.86 SRC (0.51) SRCEGFRGAKMAP2K1
SCHEMBL3221249 0.85 SRC (0.54) SRCEGFRGAK
SCHEMBL3221516 0.85 SRC (0.63) SRCEGFRMAP2K1
SCHEMBL27570015 0.85 SRC (0.42) SRCEGFRGAKMAP2K1ERBB2
SCHEMBL5313344 0.84 SRC (0.70) SRCEGFRGAKMAP2K1
SCHEMBL3224394 0.81 SRC (0.68) SRCEGFRGAKMAP2K1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100439340-C 3-cyanoquinolines, 3-cyano-1, 6-naphthyridines, and 3-cyano-1, 7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2008-12-03 CN claimed
CN-1419545-A 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2003-05-21 CN claimed
CN-100439340-C 3-cyanoquinolines, 3-cyano-1, 6-naphthyridines, and 3-cyano-1, 7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2008-12-03 CN disclosed
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 disclosed
US-6689772-B1 ANTINEOPLASTIC AGENTS; OSTEOPOROSIS; POLYCYSTIC KIDNEY DISEASE; ANTIVIRAL AGENTS WYETH 2004-02-10 US disclosed
CN-1419545-A 3-cyanoquinolines, 3-cyano-1,6-naphthyridines, and 3-cyano-1,7-naphthyridines as protein kinase inhibitors WYETH CORP (US) 2003-05-21 CN disclosed
US-6521618-B2 Antineoplastic agents, agents for treatment of osteoporosis and polycystic kidney disease WYETH 2003-02-18 US disclosed