SCHEMBL6187929

SCHEMBL6187929

COCCOc1ccc2c(Nc3cc(OC)c(Cl)cc3Cl)c(C#N)cnc2c1OCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRC P12931 20/20 0.70
ABL1 P00519 2/20 0.67
EGFR P00533 2/20 0.67
FYN P06241 2/20 0.67
ERBB2 P04626 1/20 0.67
LYN P07948 1/20 0.67
BCR P11274 1/20 0.65
MAP2K1 Q02750 1/20 0.60

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
SCHEMBL5256421 0.91 SRC (0.72) SRCABL1EGFRFYNERBB2
SCHEMBL5257281 0.90 SRC (0.70) SRCABL1EGFRFYNERBB2
SCHEMBL5254607 0.87 SRC (0.72) SRCABL1EGFRFYNERBB2
SCHEMBL6184034 0.86 SRC (0.92) SRCABL1EGFRFYNERBB2
SCHEMBL5255691 0.86 SRC (0.70) SRCABL1EGFRFYNERBB2
SCHEMBL6186103 0.86 SRC (0.70) SRCABL1BCR
SCHEMBL5255159 0.85 SRC (0.70) SRCABL1EGFRFYNERBB2
SCHEMBL6184864 0.85 SRC (0.65) SRCABL1EGFRFYNERBB2
SCHEMBL6184449 0.85 SRC (0.67) SRCABL1BCR
SCHEMBL5255162 0.85 SRC (0.69) SRCABL1EGFRFYNERBB2

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
EP-1499594-B1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED-3-QUINOLINE AND 3-QUINOL-4-ONE CARBONITRILES WYETH CORP (US) 2005-08-17 EP claimed