SCHEMBL15613708

SCHEMBL15613708

Nc1ncnc2c1c(-c1ccc(Oc3cc(F)cc(CCCc4cncn4CCCCCc4ccccc4)c3)cc1)nn2C1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.49
▸ LCK P06239 7/20 0.49
▸ LYN P07948 2/20 0.49
▸ NUDT14 O95848 1/20 0.48
▸ NUDT5 Q9UKK9 1/20 0.48
▸ SRC P12931 3/20 0.46
▸ KDR P35968 1/20 0.46
▸ TEK Q02763 1/20 0.46
▸ EGFR P00533 7/20 0.45
▸ ITK Q08881 3/20 0.45
▸ IGF1R P08069 2/20 0.43
▸ JAK3 P52333 2/20 0.42
▸ CSK P41240 2/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ ERBB2 P04626 1/20 0.42
▸ FYN P06241 1/20 0.42
▸ YES1 P07947 1/20 0.42
▸ HCK P08631 1/20 0.42
▸ FGR P09769 1/20 0.42
▸ FER P16591 1/20 0.42

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
SCHEMBL15613711 0.87 BTK (0.61) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613514 0.85 BTK (0.50) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613681 0.84 BTK (0.52) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613502 0.84 BTK (0.49) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613520 0.83 BTK (0.53) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613499 0.81 BTK (0.47) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613512 0.80 BTK (0.61) BTKLCKLYNNUDT14NUDT5
SCHEMBL16886168 0.80 BTK (0.53) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613753 0.80 BTK (0.48) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613550 0.80 BTK (0.55) 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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