SCHEMBL7002399

SCHEMBL7002399

COc1cc(Nc2c(C#N)cnc3c(OC)c(OCCn4nccn4)ccc23)c(Cl)cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.66
ABL1 P00519 4/20 0.54
BCR P11274 4/20 0.54
FYN P06241 2/20 0.53
KCNH2 Q12809 2/20 0.52
STK25 O00506 1/20 0.52
CIT O14578 1/20 0.52
RIOK3 O14730 1/20 0.52
MAP2K7 O14733 1/20 0.52
CHEK1 O14757 1/20 0.52
CASK O14936 1/20 0.52
GAK O14976 1/20 0.52
EPHB6 O15197 1/20 0.52
MAP3K13 O43283 1/20 0.52
MAP3K7 O43318 1/20 0.52
RIPK2 O43353 1/20 0.52
NUAK1 O60285 1/20 0.52
JAK2 O60674 1/20 0.52
ROCK2 O75116 1/20 0.52
ULK1 O75385 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
SCHEMBL5259354 0.95 SRC (0.64) SRCABL1BCRFYNKCNH2
SCHEMBL6186103 0.88 SRC (0.70) SRCABL1BCRKCNH2CYP3A4
SCHEMBL6997841 0.87 SRC (0.69) SRCABL1BCRFYNKCNH2
SCHEMBL6183013 0.85 SRC (0.73) SRCABL1BCRFYNKCNH2
SCHEMBL4447128 0.84 SRC (0.92) SRCABL1BCRFYNKCNH2
SCHEMBL6183455 0.83 SRC (0.74) SRCABL1BCRFYNKCNH2
SCHEMBL5255493 0.83 SRC (0.58) SRCABL1BCRFYNKCNH2
SCHEMBL5255289 0.83 SRC (0.58) SRCABL1BCRABL2
SCHEMBL6184540 0.83 SRC (0.74) SRCABL1BCRFYNKCNH2
SCHEMBL5254929 0.83 SRC (0.67) SRCABL1BCRFYNKCNH2

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