SCHEMBL29124672

SCHEMBL29124672

CC=CN1CCC(c2cnccc2-c2ccc(CNC(=O)c3nc(C(C)(C)C)no3)c(C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.49
▸ LCK P06239 1/20 0.45
▸ KCNH2 Q12809 1/20 0.37
▸ CD69 Q07108 1/20 0.36

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
SCHEMBL29418520 0.89 BTK (0.50) BTKLCKKCNH2
SCHEMBL25213790 0.89 BTK (0.50) BTKLCKKCNH2
SCHEMBL29124651 0.87 BTK (0.48) BTKLCK
SCHEMBL30599726 0.87 BTK (0.48) BTKLCK
SCHEMBL30599732 0.80 BTK (0.45) BTKLCK
SCHEMBL30599711 0.80 BTK (0.45) BTKLCK
SCHEMBL29124691 0.80 BTK (0.45) BTKLCK
SCHEMBL30599754 0.79 BTK (0.43) BTK
SCHEMBL29124720 0.79 BTK (0.43) BTK
SCHEMBL29124722 0.79 BTK (0.43) BTK

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
CN-116917279-A BTK inhibitors 渤健马萨诸塞州股份有限公司 2023-10-20 — — CN disclosed
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