SCHEMBL27452111

SCHEMBL27452111

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.44
▸ LCK P06239 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CCNK O75909 1/20 0.34
▸ CDK12 Q9NYV4 1/20 0.34
▸ EGFR P00533 1/20 0.34
▸ CDK14 O94921 1/20 0.33
▸ CCNY Q8ND76 1/20 0.33

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
SCHEMBL30950490 1.00 BTK (0.44) BTKLCKKDM4EMAPTKMT2A
SCHEMBL27452106 0.93 BTK (0.53) BTKLCKEGFR
SCHEMBL30950447 0.93 BTK (0.53) BTKLCKEGFR
SCHEMBL27452109 0.92 BTK (0.43) BTKLCKCCNKCDK12EGFR
SCHEMBL30950579 0.92 BTK (0.43) BTKLCKCCNKCDK12EGFR
SCHEMBL30950488 0.90 BTK (0.47) BTKLCKKDM4EMAPTKMT2A
SCHEMBL27453493 0.90 BTK (0.47) BTKLCKKDM4EMAPTKMT2A
SCHEMBL27461700 0.85 BTK (0.54) BTKLCK
SCHEMBL27454577 0.84 BTK (0.43) BTKLCKCCNKCDK12EGFR
SCHEMBL30950455 0.83 BTK (0.50) BTKLCKKDM4EMAPTKMT2A

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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