SCHEMBL19590176

SCHEMBL19590176

C=CC(=O)NC1CCC(n2nc(-c3ccc(Oc4ccccc4/C=C\C(=O)N4CCC(n5nc(-c6ccc(Oc7ccccc7)cc6)c6c(N)ncnc65)CC4)cc3)c3c(N)ncnc32)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.77
EGFR P00533 10/20 0.77
LCK P06239 7/20 0.77
ITK Q08881 7/20 0.77
TEC P42680 4/20 0.77
BMX P51813 4/20 0.77
LYN P07948 3/20 0.77
ABL1 P00519 2/20 0.77
ERBB2 P04626 2/20 0.77
FYN P06241 2/20 0.77
YES1 P07947 2/20 0.77
HCK P08631 2/20 0.77
FGR P09769 2/20 0.77
SRC P12931 2/20 0.77
FER P16591 2/20 0.77
CSK P41240 2/20 0.77
BLK P51451 2/20 0.77
JAK3 P52333 2/20 0.77
PTK6 Q13882 2/20 0.77
ERBB4 Q15303 2/20 0.77

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
SCHEMBL201745 0.88 BTK (1.00) BTKEGFRLCKITKTEC
SCHEMBL793463 0.88 BTK (1.00) BTKEGFRLCKITKTEC
SCHEMBL201744 0.88 BTK (1.00) BTKEGFRLCKITKTEC
SCHEMBL460731 0.88 BTK (1.00) BTKEGFRLCKITKTEC
SCHEMBL19853156 0.86 BTK (0.68) BTKEGFRLCKITKTEC
SCHEMBL21884770 0.85 BTK (0.75) BTKEGFRLCKITKTEC
SCHEMBL202187 0.83 BTK (1.00) BTKEGFRLCKITKTEC
SCHEMBL18645941 0.81 BTK (0.86) BTKEGFRLCKITKTEC
SCHEMBL410200 0.80 BTK (0.82) BTKEGFRLCKITKTEC
SCHEMBL15163865 0.80 BTK (0.82) BTKEGFRLCKITKTEC

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
US-9814721-B2 Use of inhibitors of bruton'S tyrosine kinase (BTK) PHARMACYCLICS LLC (US) 2017-11-14 US disclosed