SCHEMBL29124706

SCHEMBL29124706

Cc1cc(-c2[c]cncc2)ccc1CNC(=O)c1cc(C(C)(C)C)on1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.51
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ EPHX2 P34913 1/20 0.38
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ HTT P42858 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL29124814 0.83 BTK (0.46) BTKEPHX2SMN1; SMN2
SCHEMBL29124728 0.83 BTK (0.53) BTKEPHX2
SCHEMBL29124637 0.83 BTK (0.41) BTKEPHX2
SCHEMBL29124777 0.80 BTK (0.39) BTKEPHX2
SCHEMBL29124649 0.79 BTK (0.53) BTKEPHX2LMNA
SCHEMBL25245236 0.77 BTK (0.51) BTKALDH1A1MAPK1EPHX2NPC1
SCHEMBL29124756 0.76 KLKB1 (0.44) BTKEPHX2
SCHEMBL22659381 0.74 BTK (0.52) BTK
SCHEMBL29533029 0.74 BTK (0.52) BTK
SCHEMBL25249865 0.71 BTK (0.47) BTKALDH1A1MAPK1EPHX2TSHR

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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