SCHEMBL27452320

SCHEMBL27452320

CC(C)n1cc(-c2nc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(C(F)(F)F)c4)ccnc3[nH]2)cn1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.57
▸ LCK P06239 2/20 0.57
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL30950513 1.00 BTK (0.57) BTKLCKKCNH2
SCHEMBL27452389 0.91 BTK (0.68) BTKLCKKCNH2
SCHEMBL30950600 0.91 BTK (0.68) BTKLCKKCNH2
SCHEMBL27462966 0.91 BTK (0.57) BTKLCKKCNH2
SCHEMBL27462937 0.89 BTK (0.55) BTKLCKKCNH2
SCHEMBL27453079 0.89 BTK (0.58) BTKLCKKCNH2
SCHEMBL30950461 0.88 BTK (0.50) BTKLCK
SCHEMBL27457650 0.88 BTK (0.50) BTKLCK
SCHEMBL27452757 0.88 BTK (0.57) BTKLCKKCNH2
SCHEMBL30950544 0.86 BTK (0.48) 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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