SCHEMBL30950564

SCHEMBL30950564

CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc(N)c3[N+](=O)[O-])cc2S(C)(=O)=O)n1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.49
▸ LCK P06239 1/20 0.45
▸ GPR119 Q8TDV5 1/20 0.33
▸ 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
SCHEMBL30950478 0.89 BTK (0.50) BTKLCK
SCHEMBL30950537 0.89 BTK (0.61) BTKLCK
SCHEMBL30950479 0.89 BTK (0.53) BTKLCKKCNH2
SCHEMBL27456675 0.89 BTK (0.53) BTKLCKKCNH2
SCHEMBL30950458 0.88 BTK (0.52) BTKLCK
SCHEMBL30950449 0.80 BTK (0.47) BTKLCKKCNH2
SCHEMBL27456677 0.78 BTK (0.49) BTKLCKKCNH2
SCHEMBL30950534 0.78 BTK (0.49) BTKLCKKCNH2
SCHEMBL27441047 0.77 BTK (0.51) BTKLCKKCNH2
SCHEMBL17645776 0.77 BTK (0.67) 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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