SCHEMBL5256308

SCHEMBL5256308

CC1CC(C(=O)O)CCN1Cc1ccc(-c2ccc3c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c(C#N)cnc3c2)nc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.56
IGF1R P08069 5/20 0.55
EGFR P00533 2/20 0.52
IKBKB O14920 1/20 0.52
LYN P07948 1/20 0.52
SRC P12931 1/20 0.52
BRAF P15056 1/20 0.52
RPS6KB1 P23443 1/20 0.52
KDR P35968 1/20 0.52
PRKCQ Q04759 1/20 0.52
PDK1 Q15118 1/20 0.52
MAPK3 P27361 1/20 0.52
MAPK1 P28482 1/20 0.52
MAP3K1 Q13233 1/20 0.52
ERBB2 P04626 1/20 0.52

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
SCHEMBL3224280 0.91 MAP2K1 (0.58) MAP2K1IGF1REGFRIKBKBLYN
SCHEMBL3228827 0.87 IGF1R (0.59) MAP2K1IGF1REGFRIKBKBLYN
SCHEMBL3221719 0.85 MAP2K1 (0.61) MAP2K1IGF1REGFRIKBKBLYN
SCHEMBL3231921 0.84 MAP2K1 (0.64) MAP2K1IGF1REGFRIKBKBLYN
SCHEMBL3219604 0.83 MAP2K1 (0.71) MAP2K1IGF1REGFRIKBKBLYN
SCHEMBL6740482 0.83 MAP2K1 (0.60) MAP2K1IGF1REGFRIKBKBLYN
SCHEMBL3228928 0.83 MAP2K1 (0.70) MAP2K1IGF1REGFRIKBKBLYN
SCHEMBL3224442 0.82 MAP2K1 (0.70) MAP2K1IGF1REGFRIKBKBLYN
SCHEMBL3227776 0.82 MAP2K1 (0.62) MAP2K1IGF1REGFRIKBKBLYN
SCHEMBL3232470 0.81 IGF1R (0.59) MAP2K1IGF1REGFRIKBKBLYN

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 disclosed