SCHEMBL6995772

SCHEMBL6995772

COc1c(OCCCN2CCOCC2)ccc2c(Nc3ccc(Sc4nccs4)cc3Cl)c(C#N)cnc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.60
SRC P12931 16/20 0.56
FYN P06241 2/20 0.56
ABL1 P00519 2/20 0.52
BCR P11274 2/20 0.52
IGF1R P08069 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
SCHEMBL4453074 0.88 MAP2K1 (0.78) MAP2K1SRCFYNABL1BCR
SCHEMBL6383464 0.80 SRC (0.64) SRCFYNABL1BCR
SCHEMBL5254607 0.79 SRC (0.72) MAP2K1SRCFYNABL1BCR
SCHEMBL6380685 0.79 SRC (0.61) MAP2K1SRCFYNABL1BCR
SCHEMBL6382264 0.79 EGFR (0.57) MAP2K1SRCFYNABL1BCR
SCHEMBL5254265 0.78 SRC (0.69) SRCFYNABL1BCR
SCHEMBL6380678 0.78 SRC (0.54) MAP2K1SRCFYNABL1BCR
SCHEMBL6993524 0.77 MAP2K1 (0.76) MAP2K1IGF1R
SCHEMBL6997884 0.77 MAP2K1 (0.63) MAP2K1SRCIGF1R
SCHEMBL6183013 0.77 SRC (0.73) MAP2K1SRCFYNABL1BCR

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