SCHEMBL6687249

SCHEMBL6687249

COc1cc2c(Nc3c(Cl)cnc4c3OCO4)c(C#N)cnc2cc1OCCCl

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.58
ABL1 P00519 5/20 0.54
BCR P11274 4/20 0.54
EGFR P00533 1/20 0.53
ERBB2 P04626 1/20 0.53
WEE2 P0C1S8 1/20 0.53
WEE1 P30291 1/20 0.53
PKMYT1 Q99640 1/20 0.53
ABL2 P42684 1/20 0.53

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
SCHEMBL6688427 0.96 SRC (0.58) SRCABL1BCREGFRERBB2
SCHEMBL6691994 0.88 SRC (0.64) SRCABL1BCREGFRERBB2
SCHEMBL6687212 0.86 SRC (0.73) SRCABL1BCREGFRERBB2
SCHEMBL4492578 0.85 SRC (0.60) SRCABL1BCRWEE2WEE1
SCHEMBL5723443 0.83 SRC (0.67) SRCABL1BCREGFRERBB2
SCHEMBL3210087 0.82 SRC (0.60) SRCEGFRERBB2PKMYT1
SCHEMBL3193382 0.82 SRC (0.60) SRCEGFRERBB2PKMYT1
SCHEMBL5456773 0.81 SRC (0.63) SRCABL1BCREGFRERBB2
SCHEMBL6186881 0.80 SRC (0.85) SRCABL1BCREGFRERBB2
SCHEMBL4496877 0.79 SRC (0.61) SRCABL1BCREGFRERBB2

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