SCHEMBL27453496

SCHEMBL27453496

C=CC(=O)Nc1ccccc1-c1nc2c(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(S(C)(=O)=O)c3)ccnc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.46
▸ LCK P06239 1/20 0.44
▸ RORC P51449 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
SCHEMBL30950443 1.00 BTK (0.46) BTKLCKRORCKCNH2
SCHEMBL30950488 0.91 BTK (0.47) BTKLCKKCNH2
SCHEMBL27453493 0.91 BTK (0.47) BTKLCKKCNH2
SCHEMBL17645657 0.91 BTK (0.57) BTKLCK
SCHEMBL30950579 0.91 BTK (0.43) BTKLCK
SCHEMBL27452109 0.91 BTK (0.43) BTKLCK
SCHEMBL30950534 0.88 BTK (0.49) BTKLCKKCNH2
SCHEMBL27456677 0.88 BTK (0.49) BTKLCKKCNH2
SCHEMBL27441047 0.88 BTK (0.51) BTKLCKKCNH2
SCHEMBL30950449 0.85 BTK (0.47) 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 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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