SCHEMBL5723486

SCHEMBL5723486

COc1cc2ncc(C#N)c(Nc3ccc(CCC#N)c4c3OCO4)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.56
ABL1 P00519 3/20 0.56
BCR P11274 3/20 0.56
EGFR P00533 6/20 0.55
ERBB2 P04626 5/20 0.55
GAK O14976 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
SCHEMBL7071162 0.91 SRC (0.59) SRCABL1BCREGFRERBB2
SCHEMBL4498795 0.88 SRC (0.63) SRCABL1BCREGFRERBB2
SCHEMBL7065339 0.86 MAP2K1 (0.65) SRCABL1BCREGFRERBB2
SCHEMBL4487506 0.86 SRC (0.60) SRCABL1BCREGFRERBB2
SCHEMBL4495250 0.85 SRC (0.60) SRCABL1BCREGFRERBB2
SCHEMBL4498460 0.85 SRC (0.66) SRCABL1BCREGFRERBB2
SCHEMBL4487269 0.84 SRC (0.53) SRCABL1BCREGFRERBB2
SCHEMBL4496968 0.83 MAP2K1 (0.59) SRCABL1BCREGFRERBB2
SCHEMBL5452058 0.83 SRC (0.55) SRCABL1BCREGFRERBB2
SCHEMBL4487359 0.83 SRC (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1409481-B1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2006-10-04 EP disclosed
EP-1409481-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS Astrazeneca AB (SE) 2004-04-21 EP disclosed
WO-2003008409-A1 QUINOLINE DERIVATIVES AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2003-01-30 WO disclosed