SCHEMBL15613638

SCHEMBL15613638

Cc1cc(OCc2cnc(C)s2)cc(Oc2ccc(-c3nn(C4CCCC4)c4ncnc(N)c34)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 8/20 0.60
▸ LCK P06239 3/20 0.60
▸ LYN P07948 1/20 0.60
▸ NUDT14 O95848 1/20 0.53
▸ NUDT5 Q9UKK9 1/20 0.53
▸ EGFR P00533 12/20 0.51
▸ PIK3CD O00329 11/20 0.51
▸ SRC P12931 11/20 0.51
▸ KDR P35968 11/20 0.51
▸ PIK3CA P42336 11/20 0.51
▸ PIK3CB P42338 11/20 0.51
▸ PIK3CG P48736 11/20 0.51
▸ PRKDC P78527 11/20 0.51
▸ ABL1 P00519 10/20 0.51
▸ HCK P08631 10/20 0.51
▸ MTOR P42345 10/20 0.51
▸ EPHB4 P54760 10/20 0.51
▸ PI4KB Q9UBF8 9/20 0.51
▸ TEK Q02763 1/20 0.50
▸ ITK Q08881 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
SCHEMBL15613683 0.94 BTK (0.59) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613706 0.92 BTK (0.65) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613671 0.88 BTK (0.51) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613542 0.86 BTK (0.56) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613534 0.86 BTK (0.48) BTKLCKLYNNUDT14NUDT5
SCHEMBL16886156 0.84 BTK (0.60) BTKLCKLYNNUDT14NUDT5
SCHEMBL16886129 0.81 BTK (0.49) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613659 0.81 BTK (0.59) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613529 0.80 BTK (0.61) BTKLCKLYNNUDT14NUDT5
SCHEMBL25466299 0.80 BTK (0.80) 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
WO-2013177668-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE, INC. (CA) 2013-12-05 — — WO disclosed
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