SCHEMBL6691994

SCHEMBL6691994

COc1cc2c(Nc3c(Cl)cnc4c3OCO4)c(C#N)cnc2cc1OCCN1CCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 19/20 0.64
ABL1 P00519 5/20 0.64
BCR P11274 4/20 0.64
WEE2 P0C1S8 2/20 0.58
WEE1 P30291 2/20 0.58
PKMYT1 Q99640 2/20 0.58
FYN P06241 3/20 0.58
EGFR P00533 2/20 0.58
ERBB2 P04626 2/20 0.58
LYN P07948 2/20 0.58
STK25 O00506 1/20 0.58
CIT O14578 1/20 0.58
RIOK3 O14730 1/20 0.58
MAP2K7 O14733 1/20 0.58
CHEK1 O14757 1/20 0.58
CASK O14936 1/20 0.58
GAK O14976 1/20 0.58
EPHB6 O15197 1/20 0.58
MAP3K13 O43283 1/20 0.58
MAP3K7 O43318 1/20 0.58

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
SCHEMBL6687212 0.90 SRC (0.73) SRCABL1BCRFYNEGFR
SCHEMBL6688427 0.88 SRC (0.58) SRCABL1BCRWEE2WEE1
SCHEMBL6687249 0.88 SRC (0.58) SRCABL1BCRWEE2WEE1
SCHEMBL3678116 0.81 WEE2 (0.69) SRCABL1BCRWEE2WEE1
SCHEMBL6704646 0.81 SRC (0.66) SRCABL1BCRWEE2WEE1
SCHEMBL5723443 0.79 SRC (0.67) SRCABL1BCREGFRERBB2
SCHEMBL5466475 0.78 SRC (0.67) SRCABL1BCRFYNEGFR
SCHEMBL3193552 0.78 SRC (0.61) SRCPKMYT1EGFRRETEPHA2
SCHEMBL4492578 0.78 SRC (0.60) SRCABL1BCRWEE2WEE1
SCHEMBL6687060 0.78 SRC (0.70) SRCABL1BCRFYNEGFR

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
WO-2004069249-A1 3-CYANO-QUINOLINE DERIVATIVES AS NON-RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-08-19 WO disclosed