SCHEMBL29124777

SCHEMBL29124777

Cc1cc(-c2[c]cncc2)ccc1CNC(=O)c1ccn(C(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.39
▸ DGAT2 Q96PD7 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ PPARA Q07869 1/20 0.34

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
SCHEMBL29124649 0.86 BTK (0.53) BTKDGAT2EPHX2
SCHEMBL29124756 0.83 KLKB1 (0.44) BTKEPHX2
SCHEMBL29124706 0.80 BTK (0.51) BTKEPHX2
SCHEMBL29124637 0.79 BTK (0.41) BTKDGAT2EPHX2
SCHEMBL29124728 0.75 BTK (0.53) BTKEPHX2
SCHEMBL29124814 0.75 BTK (0.46) BTKEPHX2
SCHEMBL22659436 0.75 PIK3C3 (0.46) BTK
SCHEMBL29533527 0.75 PIK3C3 (0.46) BTK
SCHEMBL23304074 0.73 BTK (0.42) BTK
Hydrochloric Acid SCHEMBL31679716 0.72 BTK (0.41) 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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