SCHEMBL30950583

SCHEMBL30950583

CC#CC(=O)Nc1cn(C(C)C)nc1-c1nc2c(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(Cl)c3)ccnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.46
▸ LCK P06239 1/20 0.44
▸ AURKA O14965 1/20 0.34
▸ FGR P09769 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MINK1 Q8N4C8 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
SCHEMBL27460442 1.00 BTK (0.46) BTKLCKAURKAFGRCYP2C9
SCHEMBL27463269 0.93 BTK (0.48) BTKLCK
SCHEMBL27460320 0.90 BTK (0.47) BTKLCKAURKAFGRCYP2C9
SCHEMBL27463297 0.88 BTK (0.49) BTKLCKAURKAFGRCYP2C9
SCHEMBL27457796 0.85 BTK (0.47) BTKLCKAURKAFGRCYP2C9
SCHEMBL30950448 0.85 BTK (0.47) BTKLCKAURKAFGRCYP2C9
SCHEMBL27454313 0.83 BTK (0.49) BTKLCK
SCHEMBL30950551 0.83 BTK (0.56) BTKLCK
SCHEMBL27454153 0.83 BTK (0.56) BTKLCK
SCHEMBL27459126 0.82 BTK (0.53) 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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