SCHEMBL29124649

SCHEMBL29124649

Cc1cc(-c2[c]cncc2)ccc1CNC(=O)c1cn(C(C)(C)C)nn1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 13/20 0.53
▸ KLKB1 P03952 1/20 0.41
▸ LMNA P02545 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.35
▸ MIF P14174 1/20 0.35
▸ CRBN Q96SW2 1/20 0.34
▸ EPHX2 P34913 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
SCHEMBL29124777 0.86 BTK (0.39) BTKDGAT2EPHX2
SCHEMBL29124830 0.84 BTK (0.56) BTKKLKB1MIFCRBN
SCHEMBL29124756 0.84 KLKB1 (0.44) BTKKLKB1EPHX2
SCHEMBL29124706 0.79 BTK (0.51) BTKLMNAEPHX2
SCHEMBL29124783 0.78 BTK (0.34) BTK
SCHEMBL23605779 0.78 BTK (0.54) BTKKLKB1MIFEPHX2
SCHEMBL29418492 0.78 BTK (0.54) BTKKLKB1MIFEPHX2
SCHEMBL29124637 0.78 BTK (0.41) BTKDGAT2EPHX2
SCHEMBL30913578 0.77 BTK (0.56) BTKKLKB1
SCHEMBL25173782 0.77 BTK (0.56) BTKKLKB1

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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