SCHEMBL30950538

SCHEMBL30950538

NCc1ccc(-c2ccnc3nc(-c4cccc(N)c4)[nH]c23)cc1F

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.59
▸ IKBKE Q14164 1/20 0.43
▸ TBK1 Q9UHD2 1/20 0.43
▸ WNT1 P04628 4/20 0.42
▸ CLK2 P49760 2/20 0.42
▸ CLK3 P49761 2/20 0.42
▸ DYRK1A Q13627 2/20 0.42
▸ FYN P06241 1/20 0.41

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
SCHEMBL17664720 1.00 BTK (0.59) BTKIKBKETBK1WNT1CLK2
SCHEMBL17664654 0.84 BTK (0.58) BTKWNT1CLK2CLK3DYRK1A
Hydrochloric Acid SCHEMBL30950566 0.83 BTK (0.57) BTKWNT1CLK2CLK3DYRK1A
SCHEMBL30950546 0.80 BTK (0.56) BTK
SCHEMBL17664722 0.80 BTK (0.56) BTK
SCHEMBL17660349 0.72 BTK (0.44) BTK
SCHEMBL17646039 0.70 MGAT2 (0.47) BTKCLK2CLK3DYRK1A
SCHEMBL17646013 0.70 MGAT2 (0.47) BTKCLK2CLK3DYRK1A
SCHEMBL19876272 0.69 BTK (0.56) BTK
SCHEMBL17670765 0.68 BTK (0.41) BTK

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-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
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