SCHEMBL17675378

SCHEMBL17675378

CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OCC(=O)N1CCOCC1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.80
TEC P42680 2/20 0.80
TXK P42681 2/20 0.80
BLK P51451 2/20 0.80
BMX P51813 2/20 0.80
ERBB4 Q15303 2/20 0.80
EGFR P00533 11/20 0.71
ERBB2 P04626 1/20 0.69
JAK3 P52333 1/20 0.69
ITK Q08881 1/20 0.69
CYP3A4 P08684 1/20 0.42
KDR P35968 1/20 0.42
NPC1 O15118 1/20 0.40
AXL P30530 1/20 0.40

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
SCHEMBL17675392 0.89 BTK (1.00) BTKTECTXKBLKBMX
SCHEMBL17675481 0.88 BTK (0.93) BTKTECTXKBLKBMX
SCHEMBL17675558 0.85 BTK (0.82) BTKTECTXKBLKBMX
SCHEMBL17675484 0.85 BTK (1.00) BTKTECTXKBLKBMX
SCHEMBL17675368 0.85 BTK (0.81) BTKTECTXKBLKBMX
SCHEMBL17675608 0.85 BTK (0.82) BTKTECTXKBLKBMX
SCHEMBL17675199 0.84 BTK (0.79) BTKTECTXKBLKBMX
SCHEMBL17675255 0.84 BTK (0.85) BTKTECTXKBLKBMX
SCHEMBL17675383 0.84 BTK (0.88) BTKTECTXKBLKBMX
SCHEMBL17683789 0.84 BTK (1.00) BTKTECTXKBLKBMX

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