SCHEMBL3980277

SCHEMBL3980277

COc1cc(Cl)c(Cl)c(Nc2c(C#N)cnc3c(Br)cccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SRC P12931 18/20 0.56
ABL1 P00519 2/20 0.50
BCR P11274 2/20 0.50
EGFR P00533 2/20 0.49
ERBB2 P04626 2/20 0.49

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
SCHEMBL4121723 0.83 SRC (0.64) SRCABL1BCR
SCHEMBL7254581 0.71 SRC (0.62) SRCABL1BCREGFRERBB2
SCHEMBL5253791 0.70 SRC (0.67) SRCABL1BCREGFRERBB2
SCHEMBL5256712 0.69 SRC (0.74) SRCABL1BCR
SCHEMBL6382448 0.69 SRC (0.71) SRCABL1BCREGFRERBB2
SCHEMBL6997301 0.69 SRC (0.58) SRCABL1BCREGFRERBB2
SCHEMBL5253283 0.68 SRC (0.74) SRCABL1BCREGFRERBB2
SCHEMBL6386795 0.68 PDE4B (0.58) SRCEGFRERBB2
SCHEMBL6380874 0.68 EGFR (0.73) EGFRERBB2
SCHEMBL6384191 0.68 PDE4B (0.58) SRCEGFRERBB2

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-1981505-A4 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH CORP (US) 2009-05-13 EP disclosed
EP-1981505-A2 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION Wyeth a Corporation of the State of Delaware (US) 2008-10-22 EP disclosed
WO-2007092153-A2 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH (US) 2007-08-16 WO disclosed