SCHEMBL7001879

SCHEMBL7001879

COc1c(OCCCn2ccnn2)ccc2c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c(C#N)cnc12

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.63
IGF1R P08069 8/20 0.63
MAPK3 P27361 1/20 0.61
MAPK1 P28482 1/20 0.61
MAP3K1 Q13233 1/20 0.61

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) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL6998163 0.88 MAP2K1 (0.79) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL2205864 0.88 IGF1R (0.82) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL5255981 0.88 IGF1R (0.65) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL5255721 0.86 IGF1R (0.65) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL5254321 0.84 IGF1R (0.63) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL7001176 0.84 MAP2K1 (0.77) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL5253159 0.84 MAP2K1 (0.77) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL5256771 0.83 IGF1R (0.66) MAP2K1IGF1RMAPK3MAPK1MAP3K1
SCHEMBL6183047 0.83 IGF1R (0.66) MAP2K1IGF1RMAPK3MAPK1MAP3K1

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