SCHEMBL27452109

SCHEMBL27452109

CN(C)C/C=C/C(=O)Nc1ccccc1-c1nc2c(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(S(C)(=O)=O)c3)ccnc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 18/20 0.43
▸ LCK P06239 1/20 0.41
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ EGFR P00533 1/20 0.34

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
SCHEMBL30950579 1.00 BTK (0.43) BTKLCKCCNKCDK12EGFR
SCHEMBL27452106 0.92 BTK (0.53) BTKLCKEGFR
SCHEMBL27452111 0.92 BTK (0.44) BTKLCKCCNKCDK12EGFR
SCHEMBL30950447 0.92 BTK (0.53) BTKLCKEGFR
SCHEMBL30950490 0.92 BTK (0.44) BTKLCKCCNKCDK12EGFR
SCHEMBL27453496 0.91 BTK (0.46) BTKLCK
SCHEMBL30950443 0.91 BTK (0.46) BTKLCK
SCHEMBL27461700 0.84 BTK (0.54) BTKLCK
SCHEMBL30950534 0.84 BTK (0.49) BTKLCK
SCHEMBL27456677 0.84 BTK (0.49) BTKLCK

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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