SCHEMBL7069504

SCHEMBL7069504

COc1cc2c(Cl)c(C#N)cnc2cc1OCCCBr

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.53
ABL1 P00519 1/20 0.49
BCR P11274 1/20 0.49
WEE2 P0C1S8 1/20 0.48
WEE1 P30291 1/20 0.48
PKMYT1 Q99640 1/20 0.48
EGFR P00533 1/20 0.48
ERBB2 P04626 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
SCHEMBL4296487 0.90 SRC (0.54) SRCABL1BCRWEE2WEE1
SCHEMBL22589482 0.89 SRC (0.59) SRCABL1BCRWEE2WEE1
SCHEMBL14418088 0.89 SRC (0.57) SRCABL1BCRWEE2WEE1
SCHEMBL4487395 0.89 SRC (0.53) SRCABL1BCRWEE2WEE1
SCHEMBL29365909 0.89 SRC (0.59) SRCABL1BCRWEE2WEE1
SCHEMBL2977174 0.88 SRC (0.54) SRCABL1BCREGFRERBB2
SCHEMBL4741681 0.88 SRC (0.66) SRCABL1BCREGFRERBB2
SCHEMBL1893090 0.87 SRC (0.62) SRCABL1BCREGFRERBB2
SCHEMBL29590073 0.87 SRC (0.62) SRCABL1BCREGFRERBB2
SCHEMBL5470207 0.87 SRC (0.53) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003047583-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING BENZOFURANYL SUBSTITUTED 3-CYANOQUINOLINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF SOLID TUMOURS ASTRAZENECA AB (SE) 2003-06-12 WO disclosed
WO-2003048159-A1 QUINOLINE DERIVATIVES ASTRAZENECA AB (SE) 2003-06-12 WO disclosed