SCHEMBL6689932

SCHEMBL6689932

COc1ccc(Cl)c(Nc2c(C#N)cnc3cc(OCCCCl)c(OC)cc23)n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 17/20 0.61
ABL1 P00519 3/20 0.59
BCR P11274 3/20 0.59
EGFR P00533 3/20 0.56
ERBB2 P04626 3/20 0.56

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
SCHEMBL6688317 0.96 SRC (0.61) SRCABL1BCREGFRERBB2
SCHEMBL6834093 0.89 SRC (0.57) SRCABL1BCREGFRERBB2
SCHEMBL6704646 0.87 SRC (0.66) SRCABL1BCREGFRERBB2
SCHEMBL6834092 0.87 SRC (0.59) SRCABL1BCREGFRERBB2
SCHEMBL6684408 0.86 SRC (0.76) SRCABL1BCREGFRERBB2
SCHEMBL6930676 0.85 SRC (0.57) SRCABL1BCREGFRERBB2
SCHEMBL2886333 0.82 SRC (0.85) SRCABL1BCREGFRERBB2
SCHEMBL29618203 0.82 SRC (0.85) SRCABL1BCREGFRERBB2
Hydrochloric Acid SCHEMBL19207239 0.81 SRC (0.84) SRCABL1BCREGFRERBB2
SCHEMBL6831753 0.79 EGFR (0.56) SRCEGFR

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-2004069250-A1 3-CYANO-QUINOLINE DERIVATIVES AS NON-RECEPTOR TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2004-08-19 WO disclosed