SCHEMBL22933155

SCHEMBL22933155

O=C(NC1CCCCC1)c1cc(-c2cncs2)cc2nc[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 17/20 0.53
▸ IRAK4 Q9NWZ3 1/20 0.41
▸ BMPR1B O00238 1/20 0.40
▸ BMPR1A P36894 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ ACVRL1 P37023 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ EPHX1 P07099 1/20 0.39

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
SCHEMBL28722935 0.84 CD38 (0.77) CD38
SCHEMBL22933151 0.84 CD38 (0.77) CD38
SCHEMBL22933157 0.82 CD38 (0.55) CD38IRAK4
SCHEMBL22936248 0.82 CD38 (0.71) CD38
SCHEMBL31484704 0.78 CHEK1 (0.43) CD38
SCHEMBL23329529 0.78 CD38 (0.56) CD38IRAK4
SCHEMBL23304751 0.78 CD38 (0.85) CD38
SCHEMBL23329143 0.77 CD38 (0.72) CD38
SCHEMBL23329185 0.76 CD38 (0.86) CD38
SCHEMBL23329326 0.74 CD38 (0.86) CD38

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
WO-2021021986-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 RIBON THERAPEUTICS, INC. (US) 2021-02-04 — — WO disclosed
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