SCHEMBL30599706

SCHEMBL30599706

CCC(=O)N1CCN(c2cnccc2-c2ccc(CNC(=O)c3noc(C(C)(C)C)n3)c(C)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 17/20 0.49
▸ LCK P06239 1/20 0.46
▸ DGAT2 Q96PD7 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL29124701 1.00 BTK (0.49) BTKLCKDGAT2CYP11B1CYP11B2
SCHEMBL29418480 0.90 BTK (0.48) BTKLCKDGAT2MEN1KMT2A
SCHEMBL29418414 0.90 BTK (0.48) BTKLCKDGAT2
SCHEMBL25214221 0.90 BTK (0.48) BTKLCKDGAT2MEN1KMT2A
SCHEMBL25208887 0.90 BTK (0.48) BTKLCKDGAT2
SCHEMBL25267674 0.90 BTK (0.49) BTKLCKDGAT2
SCHEMBL25224081 0.90 BTK (0.48) BTKLCKDGAT2
SCHEMBL25260482 0.90 BTK (0.48) BTKLCKDGAT2
SCHEMBL29418437 0.90 BTK (0.49) BTKLCKDGAT2
SCHEMBL29418522 0.90 BTK (0.48) 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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