SCHEMBL22936262

SCHEMBL22936262

O=C(NC1CCCCC1)c1nc(-c2cn[nH]n2)nc2cc[nH]c12

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CD38 P28907 19/20 0.47
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
JAK3 P52333 1/20 0.42

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
SCHEMBL28938319 0.84 CD38 (0.69) CD38
SCHEMBL22936261 0.84 CD38 (0.69) CD38
SCHEMBL22932659 0.81 CD38 (0.45) CD38JAK2JAK1JAK3
SCHEMBL22933540 0.78 CD38 (0.73) CD38
SCHEMBL22933148 0.78 CD38 (0.51) CD38
SCHEMBL29696388 0.77 LRRK2 (0.42) CD38JAK2
SCHEMBL31484481 0.70 CD38 (0.85) CD38
SCHEMBL22936349 0.70 CD38 (0.85) CD38
SCHEMBL22947044 0.70 CD38 (0.85) CD38
SCHEMBL31484538 0.70 CD38 (0.85) 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