SCHEMBL29124739

SCHEMBL29124739

CC=CN1CCC[C@H](c2cnccc2-c2ccc(CNC(=O)c3noc(C4(C)CC4)n3)c(C)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.38
▸ DGAT2 Q96PD7 2/20 0.35
▸ LCK P06239 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ F2 P00734 2/20 0.32

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
SCHEMBL29124660 1.00 BTK (0.38) BTKDGAT2LCKROCK2F2
SCHEMBL30599715 1.00 BTK (0.38) BTKDGAT2LCKROCK2F2
SCHEMBL30599766 1.00 BTK (0.38) BTKDGAT2LCKROCK2F2
SCHEMBL29124658 1.00 BTK (0.38) BTKDGAT2LCKROCK2F2
SCHEMBL30599762 1.00 BTK (0.38) BTKDGAT2LCKROCK2F2
SCHEMBL25241802 0.89 BTK (0.37) BTKDGAT2
SCHEMBL25241804 0.89 BTK (0.37) BTKDGAT2
SCHEMBL29418357 0.89 BTK (0.37) BTKDGAT2
SCHEMBL25218299 0.89 BTK (0.37) BTKDGAT2
SCHEMBL29418562 0.89 BTK (0.37) BTKDGAT2

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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