SCHEMBL17675322

SCHEMBL17675322

CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4cc(OC)ccn4)cc3)ccnc2cc1OC

nearest known ligand 0.83

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 0.83
EGFR P00533 6/20 0.68
TEC P42680 2/20 0.60
TXK P42681 2/20 0.60
BLK P51451 2/20 0.60
BMX P51813 2/20 0.60
ERBB4 Q15303 2/20 0.60
ERBB2 P04626 1/20 0.59
JAK3 P52333 1/20 0.59
ITK Q08881 1/20 0.59
KDR P35968 4/20 0.49
PDGFRA P16234 4/20 0.49
AXL P30530 1/20 0.48
FGFR2 P21802 1/20 0.48
KIT P10721 1/20 0.47
MET P08581 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
SCHEMBL17683789 0.91 BTK (1.00) BTKEGFRTECTXKBLK
SCHEMBL17675480 0.87 BTK (0.79) BTKEGFRTECTXKBLK
SCHEMBL17675547 0.85 BTK (0.84) BTKEGFRTECTXKBLK
SCHEMBL17675592 0.85 BTK (0.61) BTKEGFRTECTXKBLK
SCHEMBL17675531 0.85 BTK (0.59) BTKEGFRKDRPDGFRAAXL
SCHEMBL17683724 0.84 BTK (0.86) BTKEGFRTECTXKBLK
SCHEMBL17675236 0.83 BTK (0.86) BTKEGFRTECTXKBLK
SCHEMBL17675255 0.83 BTK (0.85) BTKEGFRTECTXKBLK
SCHEMBL17683763 0.81 BTK (1.00) BTKEGFRTECTXKBLK
SCHEMBL17675558 0.81 BTK (0.82) 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 claimed