SCHEMBL18533074

SCHEMBL18533074

C=C(C#N)C(=O)NCCn1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.74
▸ EGFR P00533 6/20 0.73
▸ LCK P06239 6/20 0.73
▸ ITK Q08881 5/20 0.73
▸ JAK3 P52333 4/20 0.73
▸ NUDT14 O95848 1/20 0.58
▸ NUDT5 Q9UKK9 1/20 0.58

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
SCHEMBL15517391 0.88 BTK (0.72) BTKEGFRLCKITKJAK3
SCHEMBL15517319 0.86 BTK (0.81) BTKEGFRLCKITKJAK3
SCHEMBL18533099 0.86 BTK (0.75) BTKEGFRLCKITKJAK3
SCHEMBL17090646 0.86 BTK (0.80) BTKEGFRLCKITKJAK3
SCHEMBL13860105 0.85 BTK (1.00) BTKEGFRLCKITKJAK3
SCHEMBL13860104 0.85 BTK (1.00) BTKEGFRLCKITKJAK3
SCHEMBL14617791 0.85 BTK (0.78) BTKEGFRLCKITKJAK3
SCHEMBL409209 0.84 BTK (0.75) BTKEGFRLCKITKJAK3
SCHEMBL408564 0.84 BTK (1.00) BTKEGFRLCKITKJAK3
SCHEMBL18533075 0.83 BTK (0.74) BTKEGFRLCKITKJAK3

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-9572811-B2 Treatment of dry eye PRINCIPIA BIOPHARMA INC. (US) 2017-02-21 — — US disclosed
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