SCHEMBL30950518

SCHEMBL30950518

Cn1cc([N+](=O)[O-])c(-c2nc3c(-c4ccc(CNC(=O)c5nc(C(C)(C)C)no5)c(C(F)(F)F)c4)ccnc3[nH]2)n1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.51
▸ LCK P06239 2/20 0.51
▸ KCNH2 Q12809 1/20 0.37

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
SCHEMBL27457651 1.00 BTK (0.51) BTKLCKKCNH2
SCHEMBL27457635 0.93 BTK (0.48) BTKLCK
SCHEMBL30950544 0.93 BTK (0.48) BTKLCK
SCHEMBL30950498 0.92 BTK (0.60) BTKLCK
SCHEMBL30950567 0.92 BTK (0.51) BTKLCKKCNH2
SCHEMBL27457759 0.92 BTK (0.51) BTKLCKKCNH2
SCHEMBL27458366 0.90 BTK (0.52) BTKLCKKCNH2
SCHEMBL30950439 0.90 BTK (0.52) BTKLCKKCNH2
SCHEMBL30950502 0.88 BTK (0.53) BTKLCKKCNH2
SCHEMBL27458368 0.88 BTK (0.53) 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
Send feedback