SCHEMBL19490444

SCHEMBL19490444

BC(B)(Oc1cc(F)cc(Oc2ccc(-c3nn(C4CCOCC4)c4ncnc(N)c34)cc2)c1)c1cnc(C)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 11/20 0.49
▸ LCK P06239 6/20 0.49
▸ LYN P07948 1/20 0.49
▸ NUDT14 O95848 1/20 0.48
▸ NUDT5 Q9UKK9 1/20 0.48
▸ SRC P12931 7/20 0.46
▸ KDR P35968 3/20 0.46
▸ TEK Q02763 1/20 0.46
▸ EGFR P00533 5/20 0.45
▸ PIK3CD O00329 4/20 0.45
▸ ABL1 P00519 2/20 0.45
▸ HCK P08631 2/20 0.45
▸ PIK3CA P42336 2/20 0.45
▸ PIK3CB P42338 2/20 0.45
▸ MTOR P42345 2/20 0.45
▸ PIK3CG P48736 2/20 0.45
▸ EPHB4 P54760 2/20 0.45
▸ PRKDC P78527 2/20 0.45
▸ PI4KB Q9UBF8 2/20 0.45
▸ ITK Q08881 1/20 0.43

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
SCHEMBL19490558 0.87 BTK (0.49) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613671 0.86 BTK (0.51) BTKLCKLYNNUDT14NUDT5
SCHEMBL19490431 0.85 BTK (0.49) BTKLCKLYNNUDT14NUDT5
SCHEMBL16886129 0.85 BTK (0.49) BTKLCKLYNNUDT14NUDT5
SCHEMBL19490460 0.83 SRC (0.52) LCKSRCKDREGFRPIK3CD
SCHEMBL16886162 0.82 BTK (0.52) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613558 0.80 BTK (0.52) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613683 0.80 BTK (0.59) BTKLCKLYNNUDT14NUDT5
SCHEMBL16886173 0.80 BTK (0.50) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613585 0.79 BTK (0.51) BTKLCKLYNNUDT14NUDT5

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-9796716-B2 Selective inhibitors of Tec and Src protein kinase families PHARMASCIENCE, INC. (CA) 2017-10-24 — — US disclosed
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