SCHEMBL30599726

SCHEMBL30599726

CC=CN1CCC(c2cnccc2-c2ccc(CNC(=O)c3noc(C(C)(C)C)n3)c(C)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.48
▸ LCK P06239 1/20 0.45
▸ DGAT2 Q96PD7 1/20 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
SCHEMBL29124651 1.00 BTK (0.48) BTKLCKDGAT2
SCHEMBL29418369 0.88 BTK (0.49) BTKLCK
SCHEMBL25267864 0.88 BTK (0.49) BTKLCK
SCHEMBL29124672 0.87 BTK (0.49) BTKLCK
SCHEMBL25269700 0.86 BTK (0.48) BTKLCK
SCHEMBL29418394 0.86 BTK (0.48) BTKLCK
Hydrochloric Acid SCHEMBL25246453 0.86 BTK (0.53) BTKLCKDGAT2
Hydrochloric Acid SCHEMBL29418446 0.86 BTK (0.53) BTKLCKDGAT2
SCHEMBL29124828 0.84 BTK (0.47) BTKLCKDGAT2
SCHEMBL29124660 0.80 BTK (0.38) 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 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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