SCHEMBL6834092

SCHEMBL6834092

COc1ncc(Cl)c(Nc2c(C#N)cnc3cc(OCCCCl)c(OC)cc23)n1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.59
ABL1 P00519 2/20 0.56
BCR P11274 2/20 0.56
EGFR P00533 1/20 0.56
ERBB2 P04626 1/20 0.56
WEE2 P0C1S8 1/20 0.55
WEE1 P30291 1/20 0.55
PKMYT1 Q99640 1/20 0.55

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
SCHEMBL6689932 0.87 SRC (0.61) SRCABL1BCREGFRERBB2
SCHEMBL6832310 0.86 SRC (0.74) SRCABL1BCREGFRERBB2
SCHEMBL6834093 0.83 SRC (0.57) SRCABL1BCREGFRERBB2
SCHEMBL6688317 0.83 SRC (0.61) SRCABL1BCREGFRERBB2
SCHEMBL29618203 0.82 SRC (0.85) SRCABL1BCREGFRERBB2
SCHEMBL2886333 0.82 SRC (0.85) SRCABL1BCREGFRERBB2
Hydrochloric Acid SCHEMBL19207239 0.81 SRC (0.84) SRCABL1BCREGFRERBB2
SCHEMBL6930676 0.80 SRC (0.57) SRCABL1BCREGFRERBB2
SCHEMBL6688427 0.79 SRC (0.58) SRCABL1BCREGFRERBB2
SCHEMBL6186881 0.78 SRC (0.85) 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-2004108704-A1 PYRIMIDIN-4-YL 3-CYANOQUINOLINE DERIVATIVES FOR USE IN THE TREATMENT OF TUMOURS ASTRAZENECA AB (SE) 2004-12-16 WO disclosed