SCHEMBL6183085

SCHEMBL6183085

COc1ccc(Cl)c(Nc2c(C#N)cnc3c(OC)c(OCCCC4CCN(C)CC4)ccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.63
ABL1 P00519 14/20 0.63
ABL2 P42684 12/20 0.63
BCR P11274 3/20 0.54
FYN P06241 2/20 0.46
WEE2 P0C1S8 2/20 0.46
WEE1 P30291 2/20 0.46
PKMYT1 Q99640 2/20 0.46
STK25 O00506 1/20 0.46
CIT O14578 1/20 0.46
RIOK3 O14730 1/20 0.46
MAP2K7 O14733 1/20 0.46
CHEK1 O14757 1/20 0.46
CASK O14936 1/20 0.46
GAK O14976 1/20 0.46
EPHB6 O15197 1/20 0.46
MAP3K13 O43283 1/20 0.46
MAP3K7 O43318 1/20 0.46
RIPK2 O43353 1/20 0.46
NUAK1 O60285 1/20 0.46

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
SCHEMBL6183868 0.92 SRC (0.74) SRCABL1ABL2BCRFYN
SCHEMBL6183294 0.92 SRC (0.63) SRCABL1ABL2BCR
SCHEMBL6184540 0.90 SRC (0.74) SRCABL1ABL2BCRFYN
SCHEMBL6183455 0.86 SRC (0.74) SRCABL1ABL2BCRFYN
SCHEMBL6183059 0.86 SRC (0.85) SRCABL1ABL2BCRFYN
SCHEMBL6187804 0.85 SRC (0.62) SRCABL1ABL2FYNWEE2
SCHEMBL6184673 0.84 SRC (0.60) SRCABL1ABL2BCR
SCHEMBL6188532 0.84 SRC (0.73) SRCABL1ABL2BCRKDR
SCHEMBL6184635 0.81 SRC (0.66) SRCABL1ABL2BCRFYN
SCHEMBL6183491 0.81 SRC (0.73) SRCABL1ABL2BCRFYN

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-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP claimed