SCHEMBL27466920

SCHEMBL27466920

C=CC(=O)Nc1nccnc1-c1nc2c(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(C(F)(F)F)c3)c(-c3cnc(-c4nc5c(-c6ccc(CNC(=O)c7nc(C(C)(C)C)no7)c(C(F)(F)F)c6)c(-c6cnc(-c7nc8c(-c9ccc(CNC(=O)c%10nc(C(C)(C)C)no%10)c(C(F)(F)F)c9)ccnc8[nH]7)c(NC(=O)C#CC)n6)cnc5[nH]4)c(NC(=O)C#CC)c3)cnc2[nH]1

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 9/20 0.36
▸ LCK P06239 1/20 0.36

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
SCHEMBL27454642 0.86 BTK (0.47) BTKLCK
SCHEMBL27454645 0.84 BTK (0.48) BTKLCK
SCHEMBL27454644 0.82 BTK (0.46) BTKLCK
SCHEMBL27454725 0.80 BTK (0.46) BTKLCK
SCHEMBL27454435 0.77 BTK (0.48) BTKLCK
SCHEMBL27454641 0.77 BTK (0.45) BTKLCK
SCHEMBL30950602 0.76 BTK (0.47) BTKLCK
SCHEMBL27454232 0.76 BTK (0.47) BTKLCK
SCHEMBL30950555 0.76 BTK (0.49) BTKLCK
SCHEMBL27454312 0.76 BTK (0.49) 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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