SCHEMBL30950458

SCHEMBL30950458

CC(C)(C)c1noc(C(=O)NCc2ccc(-c3ccnc(N)c3[N+](=O)[O-])cc2C(F)(F)F)n1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.52
▸ LCK P06239 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL30950537 0.91 BTK (0.61) BTKLCK
SCHEMBL30950478 0.89 BTK (0.50) BTKLCK
SCHEMBL30950434 0.89 BTK (0.56) BTKLCKSMN1; SMN2
SCHEMBL27457649 0.89 BTK (0.56) BTKLCKSMN1; SMN2
SCHEMBL30950564 0.88 BTK (0.49) BTKLCK
SCHEMBL27460602 0.81 BTK (0.52) BTKLCK
SCHEMBL19876207 0.80 BTK (0.60) BTKLCK
SCHEMBL30950500 0.79 BTK (0.67) BTKLCK
SCHEMBL17645776 0.79 BTK (0.67) BTKLCK
SCHEMBL30950502 0.79 BTK (0.53) 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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