SCHEMBL14646951

SCHEMBL14646951

C=C(/C=C/CN(C)C1CCC1)N(C)c1cccc(-n2nc(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.51
▸ EGFR P00533 9/20 0.51
▸ LCK P06239 8/20 0.51
▸ ITK Q08881 7/20 0.51
▸ LYN P07948 1/20 0.46
▸ JAK3 P52333 3/20 0.45
▸ KIT P10721 1/20 0.45
▸ FLT3 P36888 1/20 0.45
▸ NUDT14 O95848 2/20 0.44
▸ NUDT5 Q9UKK9 2/20 0.44

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
SCHEMBL14576267 0.92 BTK (0.55) BTKEGFRLCKITKLYN
SCHEMBL14576269 0.92 BTK (0.55) BTKEGFRLCKITKLYN
SCHEMBL14575859 0.90 BTK (0.55) BTKEGFRLCKITKJAK3
SCHEMBL14575862 0.90 BTK (0.55) BTKEGFRLCKITKJAK3
SCHEMBL14576418 0.84 BTK (0.57) BTKEGFRLCKITKLYN
SCHEMBL14576416 0.84 BTK (0.57) BTKEGFRLCKITKLYN
SCHEMBL14575359 0.84 BTK (0.56) BTKEGFRLCKITKLYN
SCHEMBL14575357 0.84 BTK (0.56) BTKEGFRLCKITKLYN
SCHEMBL14576297 0.82 BTK (0.58) BTKEGFRLCKITKLYN
SCHEMBL14576295 0.82 BTK (0.58) BTKEGFRLCKITKLYN

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-2013010136-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS, INC. (US) 2013-01-17 — — WO disclosed
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