SCHEMBL27458798

SCHEMBL27458798

Cc1nn(C(C)C)c(C)c1-c1nc2c(-c3ccc(CNC(=O)c4nc(C(C)(C)C)no4)c(S(C)(=O)=O)c3)ccnc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.52
▸ AURKA O14965 1/20 0.52
▸ FGR P09769 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ SRC P12931 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MINK1 Q8N4C8 1/20 0.52
▸ LCK P06239 1/20 0.45

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
SCHEMBL30950532 1.00 BTK (0.52) BTKAURKAFGRCYP2C9SRC
SCHEMBL27458797 0.91 BTK (0.54) BTKAURKAFGRCYP2C9SRC
SCHEMBL27458794 0.91 BTK (0.60) BTKAURKAFGRCYP2C9SRC
SCHEMBL30950581 0.91 BTK (0.54) BTKAURKAFGRCYP2C9SRC
SCHEMBL30950577 0.91 BTK (0.60) BTKAURKAFGRCYP2C9SRC
SCHEMBL27452174 0.91 BTK (0.45) BTKAURKAFGRCYP2C9SRC
SCHEMBL30950604 0.90 BTK (0.53) BTKAURKAFGRCYP2C9SRC
SCHEMBL27452243 0.90 BTK (0.53) BTKAURKAFGRCYP2C9SRC
SCHEMBL27433350 0.87 BTK (0.48) BTKAURKAFGRCYP2C9SRC
SCHEMBL27465141 0.86 BTK (0.52) BTKAURKAFGRCYP2C9SRC

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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