SCHEMBL17675595

SCHEMBL17675595

COCC#CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4cc(OC)ccn4)cc3)c2c1

nearest known ligand 0.82

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.82
EGFR P00533 13/20 0.82
ERBB2 P04626 4/20 0.57
TEC P42680 2/20 0.57
TXK P42681 2/20 0.57
BLK P51451 2/20 0.57
BMX P51813 2/20 0.57
JAK3 P52333 2/20 0.57
ERBB4 Q15303 2/20 0.57
ITK Q08881 1/20 0.48
DDR2 Q16832 1/20 0.47
PDGFRA P16234 2/20 0.45
KDR P35968 1/20 0.45
AXL P30530 1/20 0.44

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
SCHEMBL17675328 0.91 BTK (0.81) BTKEGFRERBB2TECTXK
SCHEMBL17675249 0.90 BTK (0.80) BTKEGFRERBB2TECTXK
SCHEMBL17675202 0.90 BTK (0.80) BTKEGFRERBB2TECTXK
SCHEMBL17675594 0.90 BTK (0.80) BTKEGFRERBB2TECTXK
SCHEMBL17675218 0.90 BTK (1.00) BTKEGFRERBB2TECTXK
SCHEMBL17675480 0.90 BTK (0.79) BTKEGFRERBB2TECTXK
SCHEMBL17675250 0.89 BTK (0.78) BTKEGFRERBB2TECTXK
SCHEMBL17675262 0.87 BTK (0.83) BTKEGFRERBB2TECTXK
SCHEMBL17675193 0.85 BTK (0.74) BTKEGFRERBB2TECTXK
SCHEMBL17675520 0.85 BTK (0.73) BTKEGFRERBB2TECTXK

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-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 WO claimed