SCHEMBL27462966

SCHEMBL27462966

CC(C)n1cc(-c2nc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(C(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
SCHEMBL27452458 0.92 BTK (0.67) BTKLCKKCNH2
SCHEMBL30950513 0.91 BTK (0.57) BTKLCKKCNH2
SCHEMBL27452320 0.91 BTK (0.57) BTKLCKKCNH2
SCHEMBL27462937 0.89 BTK (0.55) BTKLCKKCNH2
SCHEMBL17645895 0.83 BTK (0.81) BTKLCK
SCHEMBL27454784 0.83 BTK (0.49) BTKLCK
SCHEMBL27454787 0.82 BTK (0.51) BTKLCK
SCHEMBL27452454 0.82 BTK (0.53) BTKLCKKCNH2
SCHEMBL27452389 0.82 BTK (0.68) BTKLCKKCNH2
SCHEMBL30950600 0.82 BTK (0.68) BTKLCKKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
WO-2024129395-A1 BTK INHIBITORS GWYNANT THERAPEUTICS, INC. (US) 2024-06-20 — — WO disclosed
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