SCHEMBL17675221

SCHEMBL17675221

Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OCCN1CCOCC1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.77
TEC P42680 2/20 0.77
TXK P42681 2/20 0.77
BLK P51451 2/20 0.77
BMX P51813 2/20 0.77
ERBB4 Q15303 2/20 0.77
EGFR P00533 12/20 0.68
ERBB2 P04626 1/20 0.68
JAK3 P52333 1/20 0.68
ITK Q08881 1/20 0.68
FGFR2 P21802 1/20 0.51
MET P08581 2/20 0.47
KDR P35968 1/20 0.47
HDAC1 Q13547 1/20 0.46

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
SCHEMBL17675502 0.93 BTK (0.67) BTKTECTXKBLKBMX
SCHEMBL17675263 0.92 BTK (0.66) BTKTECTXKBLKBMX
SCHEMBL17675464 0.88 BTK (0.71) BTKTECTXKBLKBMX
SCHEMBL17675392 0.87 BTK (1.00) BTKTECTXKBLKBMX
SCHEMBL17683766 0.87 BTK (0.78) BTKTECTXKBLKBMX
SCHEMBL17675320 0.85 BTK (0.61) BTKTECTXKBLKBMX
SCHEMBL17675541 0.84 BTK (0.65) BTKTECTXKBLKBMX
SCHEMBL17675481 0.84 BTK (0.93) BTKTECTXKBLKBMX
SCHEMBL17683844 0.82 BTK (0.76) BTKTECTXKBLKBMX
SCHEMBL17675543 0.81 BTK (0.62) 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 2 patents. 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 disclosed
WO-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 WO disclosed