SCHEMBL30950449

SCHEMBL30950449

CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc4[nH]c(-c5ccccc5[N+](=O)[O-])nc34)cc2S(C)(=O)=O)n1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.47
▸ LCK P06239 1/20 0.45
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL30950467 0.90 BTK (0.48) BTKLCK
SCHEMBL30950534 0.89 BTK (0.49) BTKLCKKCNH2
SCHEMBL27456677 0.89 BTK (0.49) BTKLCKKCNH2
SCHEMBL27441047 0.89 BTK (0.51) BTKLCKKCNH2
SCHEMBL30950443 0.85 BTK (0.46) BTKLCKKCNH2
SCHEMBL27453496 0.85 BTK (0.46) BTKLCKKCNH2
SCHEMBL27432575 0.83 BTK (0.50) BTKLCKKCNH2
SCHEMBL30950471 0.83 BTK (0.57) BTKLCK
SCHEMBL27456950 0.83 BTK (0.57) BTKLCK
SCHEMBL27433350 0.83 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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