SCHEMBL17675352

SCHEMBL17675352

C=CC(=O)Nc1ccc2ncnc(Oc3ccc(C(=O)Nc4cc(C(F)(F)F)ccn4)cc3)c2c1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 8/20 0.74
BTK Q06187 5/20 0.74
ERBB2 P04626 2/20 0.57
TEC P42680 1/20 0.57
TXK P42681 1/20 0.57
BLK P51451 1/20 0.57
BMX P51813 1/20 0.57
JAK3 P52333 1/20 0.57
ERBB4 Q15303 1/20 0.57
KDR P35968 5/20 0.51
BRAF P15056 4/20 0.51
MAPK14 Q16539 3/20 0.51
TNNI3K Q59H18 3/20 0.51
FYN P06241 2/20 0.46
SRC P12931 2/20 0.46
FGFR1 P11362 1/20 0.46
CSF1R P07333 2/20 0.44
GRM5 P41594 1/20 0.44
FLT3 P36888 1/20 0.44

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
SCHEMBL17683822 0.94 EGFR (0.72) EGFRBTKERBB2TECTXK
SCHEMBL17675181 0.88 EGFR (0.75) EGFRBTKERBB2TECTXK
SCHEMBL17675434 0.85 EGFR (1.00) EGFRBTKERBB2TECTXK
SCHEMBL17675213 0.85 EGFR (0.79) EGFRBTKERBB2TECTXK
SCHEMBL17675462 0.84 BTK (0.51) EGFRBTKKDRBRAFMAPK14
SCHEMBL17675293 0.81 EGFR (0.49) EGFRBTKKDRBRAFMAPK14
SCHEMBL17683706 0.80 BTK (0.59) EGFRBTKERBB2TECTXK
SCHEMBL17675433 0.77 KDR (0.59) KDRBRAFMAPK14TNNI3KCSF1R
SCHEMBL17675591 0.77 EGFR (0.79) EGFRBTKERBB2TECTXK
SCHEMBL17675479 0.75 EGFR (0.79) EGFRBTKERBB2TECTXK

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