SCHEMBL17675255

SCHEMBL17675255

CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OCCOC

nearest known ligand 0.85

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.85
EGFR P00533 11/20 0.78
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
ERBB2 P04626 1/20 0.63
JAK3 P52333 1/20 0.63
ITK Q08881 1/20 0.63
CYP3A4 P08684 1/20 0.49
KDR P35968 1/20 0.49
AXL P30530 1/20 0.47
F2 P00734 1/20 0.46
MET P08581 2/20 0.45

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
SCHEMBL17675558 0.94 BTK (0.82) BTKEGFRTECTXKBLK
SCHEMBL17675368 0.93 BTK (0.81) BTKEGFRTECTXKBLK
SCHEMBL17683789 0.92 BTK (1.00) BTKEGFRTECTXKBLK
SCHEMBL17675256 0.92 BTK (0.79) BTKEGFRTECTXKBLK
SCHEMBL17675614 0.91 BTK (0.78) BTKEGFRTECTXKBLK
SCHEMBL17675333 0.90 BTK (0.81) BTKEGFRTECTXKBLK
SCHEMBL17675383 0.89 BTK (0.88) BTKEGFRTECTXKBLK
SCHEMBL17683780 0.88 BTK (0.79) BTKEGFRTECTXKBLK
SCHEMBL17683779 0.88 BTK (0.79) BTKEGFRTECTXKBLK
SCHEMBL17675226 0.88 BTK (0.93) 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