SCHEMBL22933165

SCHEMBL22933165

O=C(NC1CCCCC1)c1nc(-c2cncs2)nc2ccsc12

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD38 P28907 8/20 0.70
ADORA2A P29274 11/20 0.56
ADORA2B P29275 7/20 0.56
ADORA1 P30542 4/20 0.51
ADORA3 P0DMS8 2/20 0.48
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL22946910 0.83 CD38 (1.00) CD38
SCHEMBL31484489 0.83 CD38 (1.00) CD38
SCHEMBL22933540 0.81 CD38 (0.73) CD38KDM4ETSHRHTT
SCHEMBL25474644 0.73 CD38 (0.50) CD38KDM4ETSHRHTT
SCHEMBL22936148 0.73 CD38 (0.74) CD38ADORA2AADORA2B
SCHEMBL3751191 0.72 ADORA2A (1.00) ADORA2AADORA2BADORA1
SCHEMBL3660960 0.72 ADORA2A (0.56) CD38ADORA2AADORA2BADORA1ADORA3
SCHEMBL31266691 0.71 CD38 (0.61) CD38
SCHEMBL31266703 0.71 CD38 (0.61) CD38
SCHEMBL29495184 0.71 CD38 (0.56) CD38ADORA2AADORA2BADORA1KDM4E

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