SCHEMBL18646643

SCHEMBL18646643

C=CCN[C@H]1C[C@@H](n2nc(-c3ccc(Oc4ccc(F)cc4F)cc3)c3c(N)ncnc32)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.52
BTK Q06187 17/20 0.48
BLK P51451 3/20 0.48
LCK P06239 3/20 0.48
LYN P07948 3/20 0.48
FYN P06241 3/20 0.48
TEC P42680 3/20 0.48
BMX P51813 3/20 0.48
ABL1 P00519 2/20 0.48
ERBB2 P04626 2/20 0.48
YES1 P07947 2/20 0.48
HCK P08631 2/20 0.48
FGR P09769 2/20 0.48
SRC P12931 2/20 0.48
FER P16591 2/20 0.48
CSK P41240 2/20 0.48
JAK3 P52333 2/20 0.48
ITK Q08881 2/20 0.48
PTK6 Q13882 2/20 0.48
ERBB4 Q15303 2/20 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
SCHEMBL18646642 0.86 BTK (0.65) EGFRBTKBLKLCKLYN
SCHEMBL18647206 0.85 BTK (0.55) EGFRBTKLCKLYNFYN
SCHEMBL18647205 0.81 RET (0.50) EGFRBTKBLKLCKLYN
SCHEMBL28374156 0.76 EGFR (0.63) EGFRBTKBLKLCKLYN
SCHEMBL19635203 0.76 EGFR (0.63) EGFRBTKBLKLCKLYN
SCHEMBL19635200 0.76 EGFR (0.63) EGFRBTKBLKLCKLYN
SCHEMBL19635229 0.76 EGFR (0.63) EGFRBTKBLKLCKLYN
SCHEMBL19635664 0.76 EGFR (0.62) EGFRBTKBLKLCKLYN
SCHEMBL19635665 0.76 EGFR (0.62) EGFRBTKBLKLCKLYN
SCHEMBL19635808 0.75 BTK (0.67) EGFRBTKBMXSRCJAK3

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-2017041180-A1 HETEROCYCLIC TEC-FAMILY KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2017-03-16 WO disclosed