SCHEMBL29418303

SCHEMBL29418303

Cc1cc(-c2ccncc2N2CC3(CN(C(=O)OC(C)(C)C)C3)C2)ccc1CNC(=O)c1noc(C(C)(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.48
▸ LCK P06239 1/20 0.45
▸ DGAT2 Q96PD7 2/20 0.39
▸ GPR119 Q8TDV5 1/20 0.38
▸ NAMPT P43490 4/20 0.37

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
SCHEMBL25223228 1.00 BTK (0.48) BTKLCKDGAT2GPR119NAMPT
SCHEMBL29418739 0.95 BTK (0.46) BTKLCKDGAT2NAMPT
SCHEMBL29418331 0.95 BTK (0.46) BTKLCKDGAT2NAMPT
SCHEMBL25238651 0.95 BTK (0.46) BTKLCKDGAT2NAMPT
SCHEMBL29418480 0.91 BTK (0.48) BTKLCKDGAT2GPR119NAMPT
SCHEMBL25214221 0.91 BTK (0.48) BTKLCKDGAT2GPR119NAMPT
SCHEMBL25213824 0.89 BTK (0.48) BTKLCKDGAT2
SCHEMBL29418330 0.89 BTK (0.48) BTKLCKDGAT2
Hydrochloric Acid SCHEMBL25216874 0.87 BTK (0.52) BTKLCKDGAT2
Hydrochloric Acid SCHEMBL29418285 0.87 BTK (0.52) BTKLCKDGAT2

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 3 patents. 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
EP-4192587-A1 BTK INHIBITORS Biogen MA Inc. (US) 2023-06-14 — — EP disclosed
WO-2022032019-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2022-02-10 — — WO disclosed
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