SCHEMBL7001176

SCHEMBL7001176

CCOc1ccc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc2c1OCC

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.77
IGF1R P08069 7/20 0.66
IKBKB O14920 1/20 0.57
EGFR P00533 1/20 0.57
LYN P07948 1/20 0.57
SRC P12931 1/20 0.57
BRAF P15056 1/20 0.57
RPS6KB1 P23443 1/20 0.57
KDR P35968 1/20 0.57
PRKCQ Q04759 1/20 0.57
PDK1 Q15118 1/20 0.57
MAPK3 P27361 1/20 0.57
MAPK1 P28482 1/20 0.57
MAP3K1 Q13233 1/20 0.57

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
SCHEMBL7000398 0.89 IGF1R (0.75) MAP2K1IGF1REGFRMAPK3MAPK1
SCHEMBL4454660 0.87 MAP2K1 (1.00) MAP2K1IGF1REGFRMAPK3MAPK1
SCHEMBL5255981 0.85 IGF1R (0.65) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL5255721 0.85 IGF1R (0.65) MAP2K1IGF1REGFRMAPK3MAPK1
SCHEMBL6183047 0.85 IGF1R (0.66) MAP2K1IGF1REGFRMAPK3MAPK1
SCHEMBL7002118 0.85 IGF1R (0.74) MAP2K1IGF1REGFRMAPK3MAPK1
SCHEMBL6184528 0.85 MAP2K1 (0.74) MAP2K1IGF1RIKBKBEGFRLYN
SCHEMBL6382030 0.85 MAP2K1 (0.55) MAP2K1IGF1REGFRSRC
SCHEMBL7001879 0.84 MAP2K1 (0.63) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL2962648 0.84 MAP2K1 (0.89) MAP2K1IGF1REGFRMAPK3MAPK1

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-1117659-B1 SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS WYETH CORP (US) 2003-12-03 EP claimed