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SCHEMBL29598485

SCHEMBL29598485

CC(C)(C)c1noc(C(=O)NC2CCCCc3cc(-c4ccnc5[nH]c(=O)[nH]c45)ccc32)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 1.00
▸ KCNH2 Q12809 1/20 0.66
▸ CYP2C9 P11712 2/20 0.64
▸ AURKA O14965 1/20 0.64
▸ FGR P09769 1/20 0.64
▸ SRC P12931 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ MINK1 Q8N4C8 1/20 0.64
▸ CD69 Q07108 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61

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
SCHEMBL19889727 1.00 BTK (1.00) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL29598959 0.98 BTK (1.00) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL19889780 0.98 BTK (1.00) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL19886215 0.85 BTK (0.74) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791378 0.85 BTK (0.74) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL30104354 0.82 BTK (0.69) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791291 0.82 BTK (0.69) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL21791290 0.82 BTK (0.69) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL30104336 0.82 BTK (0.69) BTKKCNH2CYP2C9AURKAFGR
SCHEMBL28585233 0.81 BTK (0.67) BTKKCNH2CYP2C9AURKAFGR

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
EP-3500569-B1 2-OXO-IMIDAZOPYRIDINES AS REVERSIBLE BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-05-18 — — EP disclosed
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