SCHEMBL17675183

SCHEMBL17675183

CCc1ccnc(NC(=O)c2ccc(Oc3ccnc4cc(OC)c(N)cc34)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 7/20 0.64
EGFR P00533 5/20 0.64
ERBB2 P04626 2/20 0.64
TEC P42680 2/20 0.64
TXK P42681 2/20 0.64
BLK P51451 2/20 0.64
BMX P51813 2/20 0.64
JAK3 P52333 2/20 0.64
ERBB4 Q15303 2/20 0.64
KDR P35968 7/20 0.51
AXL P30530 2/20 0.50
FGFR2 P21802 1/20 0.50
PDGFRA P16234 6/20 0.49
KIT P10721 1/20 0.49
ITK Q08881 1/20 0.48
MET P08581 1/20 0.48

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
SCHEMBL17675531 0.89 BTK (0.59) BTKEGFRKDRAXLFGFR2
SCHEMBL17675203 0.86 BTK (0.73) BTKEGFRERBB2TECTXK
SCHEMBL17675289 0.86 BTK (0.72) BTKEGFRERBB2TECTXK
SCHEMBL17675539 0.85 BTK (0.75) BTKEGFRERBB2TECTXK
SCHEMBL17675493 0.79 BTK (0.68) BTKEGFRERBB2TECTXK
SCHEMBL17675541 0.79 BTK (0.65) BTKEGFRERBB2TECTXK
SCHEMBL17683767 0.79 BTK (0.77) BTKEGFRERBB2TECTXK
SCHEMBL17675229 0.79 BTK (0.62) BTKEGFRERBB2TECTXK
SCHEMBL17675249 0.78 BTK (0.80) BTKEGFRERBB2TECTXK
SCHEMBL17675390 0.78 EGFR (1.00) BTKEGFRERBB2TECTXK

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