SCHEMBL31484704

SCHEMBL31484704

NC(=O)c1cc(-c2cncs2)cc2nc[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.43
▸ CHEK2 O96017 1/20 0.43
▸ CD38 P28907 13/20 0.39
▸ LRRK2 Q5S007 1/20 0.37
▸ IKBKB O14920 1/20 0.37
▸ CHUK O15111 1/20 0.37
▸ PIK3CD O00329 1/20 0.34
▸ MYC P01106 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ SYK P43405 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
SCHEMBL22933155 0.78 CD38 (0.53) CD38
SCHEMBL22933151 0.71 CD38 (0.77) CD38
SCHEMBL22936235 0.70 CD38 (0.77) CD38
SCHEMBL29495195 0.70 CD38 (0.38) CHEK1CHEK2CD38MYC
SCHEMBL1786530 0.70 CD38 (0.50) CHEK1CHEK2CD38LRRK2CHUK
SCHEMBL4061758 0.70 PARP1 (0.40) CHEK1LRRK2IKBKBCHUKPI4K2A
SCHEMBL23123126 0.69 QPCT (0.41) CD38
SCHEMBL30567526 0.68 SCN9A (0.41) —
SCHEMBL619206 0.67 IKBKB (0.66) CD38IKBKBCHUK
SCHEMBL619205 0.67 IKBKB (0.56) CD38IKBKBCHUK

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-119431323-A Heterobicyclic amides as CD38 inhibitors 贝林格尔·英格海姆国际有限公司 2025-02-14 — — CN disclosed
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