SCHEMBL17675403

SCHEMBL17675403

CC#CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4nccc(C)n4)cc3)c2c1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.71
EGFR P00533 10/20 0.57
TEC P42680 2/20 0.49
TXK P42681 2/20 0.49
BLK P51451 2/20 0.49
BMX P51813 2/20 0.49
ERBB4 Q15303 2/20 0.49
ERBB2 P04626 1/20 0.49
JAK3 P52333 1/20 0.49
AXL P30530 3/20 0.46
MET P08581 2/20 0.46
MERTK Q12866 2/20 0.46
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL17675520 0.89 BTK (0.73) BTKEGFRTECTXKBLK
SCHEMBL17675242 0.89 BTK (0.68) BTKEGFRTECTXKBLK
SCHEMBL17675408 0.85 BTK (0.81) BTKEGFRTECTXKBLK
SCHEMBL17675355 0.85 EGFR (0.69) BTKEGFRTECTXKBLK
SCHEMBL17683824 0.83 BTK (1.00) BTKEGFRTECTXKBLK
SCHEMBL17675388 0.82 BTK (0.79) BTKEGFRTECTXKBLK
SCHEMBL17675480 0.82 BTK (0.79) BTKEGFRTECTXKBLK
SCHEMBL17675204 0.82 BTK (0.78) BTKEGFRTECTXKBLK
SCHEMBL17675357 0.82 BTK (0.78) BTKEGFRTECTXKBLK
SCHEMBL17683767 0.81 BTK (0.77) 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 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 claimed
WO-2016055982-A1 QUINOLINE AND QUINAZOLINE COMPOUNDS ACERTA PHARMA B.V. (NL) 2016-04-14 WO disclosed