SCHEMBL15613754

SCHEMBL15613754

Nc1ncnc2c1c(-c1ccc(Oc3cccc(COC4=CCCC=C4C(F)(F)F)c3)cc1)nn2C1CCCC1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.61
▸ LCK P06239 3/20 0.61
▸ LYN P07948 1/20 0.61
▸ NUDT14 O95848 1/20 0.52
▸ NUDT5 Q9UKK9 1/20 0.52
▸ SRC P12931 1/20 0.49
▸ KDR P35968 1/20 0.49
▸ TEK Q02763 1/20 0.49
▸ PIK3CD O00329 1/20 0.49
▸ PIK3CA P42336 1/20 0.49
▸ PIK3CB P42338 1/20 0.49
▸ PIK3CG P48736 1/20 0.49
▸ PRKDC P78527 1/20 0.49
▸ EGFR P00533 2/20 0.47
▸ KIT P10721 1/20 0.47
▸ FLT3 P36888 1/20 0.47
▸ ITK Q08881 1/20 0.47

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
SCHEMBL15613695 0.85 BTK (0.79) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613524 0.85 BTK (0.66) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613639 0.82 BTK (0.68) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613546 0.82 BTK (0.79) BTKLCKLYNNUDT14NUDT5
SCHEMBL6435597 0.82 BTK (0.75) BTKLCKLYNNUDT14NUDT5
SCHEMBL16886149 0.81 BTK (0.69) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613616 0.79 BTK (0.66) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613473 0.79 BTK (0.56) BTKLCKLYNNUDT14NUDT5
SCHEMBL15613527 0.79 BTK (0.68) BTKLCKLYNNUDT14NUDT5
SCHEMBL24041322 0.78 BTK (0.78) 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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