SCHEMBL17683786

SCHEMBL17683786

C=C(C)C(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BTK Q06187 17/20 0.76
EGFR P00533 13/20 0.76
TEC P42680 2/20 0.59
TXK P42681 2/20 0.59
BLK P51451 2/20 0.59
BMX P51813 2/20 0.59
ERBB4 Q15303 2/20 0.59
ERBB2 P04626 1/20 0.59
JAK3 P52333 1/20 0.59
AXL P30530 1/20 0.50
F2 P00734 1/20 0.49
CYP3A4 P08684 1/20 0.49
KDR P35968 1/20 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
SCHEMBL17675364 0.86 BTK (1.00) BTKEGFRTECTXKBLK
SCHEMBL17683824 0.85 BTK (1.00) BTKEGFRTECTXKBLK
SCHEMBL17675235 0.82 BTK (0.73) BTKEGFRTECTXKBLK
SCHEMBL17675303 0.82 BTK (0.70) BTKEGFRTECTXKBLK
SCHEMBL17675576 0.81 BTK (1.00) BTKEGFRTECTXKBLK
SCHEMBL17683842 0.81 BTK (1.00) BTKEGFRTECTXKBLK
SCHEMBL17675218 0.81 BTK (1.00) BTKEGFRTECTXKBLK
SCHEMBL17675578 0.80 BTK (0.87) BTKEGFRTECTXKBLK
SCHEMBL17675536 0.80 BTK (0.70) BTKEGFRTECTXKBLK
SCHEMBL17675318 0.79 BTK (0.66) BTKEGFRTECTXKBLK

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 disclosed