SCHEMBL27457650

SCHEMBL27457650

CC(C)n1cc(N)c(-c2nc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(C(F)(F)F)c4)ccnc3[nH]2)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.50
▸ LCK P06239 1/20 0.48
▸ AURKA O14965 1/20 0.37
▸ FGR P09769 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ MINK1 Q8N4C8 1/20 0.37

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
SCHEMBL30950461 1.00 BTK (0.50) BTKLCKAURKAFGRCYP2C9
SCHEMBL30950439 0.92 BTK (0.52) BTKLCK
SCHEMBL27458329 0.92 BTK (0.60) BTKLCK
SCHEMBL27458366 0.92 BTK (0.52) BTKLCK
SCHEMBL27463297 0.91 BTK (0.49) BTKLCKAURKAFGRCYP2C9
SCHEMBL27457635 0.90 BTK (0.48) BTKLCKAURKAFGRCYP2C9
SCHEMBL30950544 0.90 BTK (0.48) BTKLCKAURKAFGRCYP2C9
SCHEMBL30950602 0.89 BTK (0.47) BTKLCKAURKAFGRCYP2C9
SCHEMBL27454232 0.89 BTK (0.47) BTKLCKAURKAFGRCYP2C9
SCHEMBL30950513 0.88 BTK (0.57) 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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