SCHEMBL22933157

SCHEMBL22933157

Cc1nc2cc(-c3cncs3)cc(C(=O)NC3CCCCC3)c2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 14/20 0.55
▸ KDM4E B2RXH2 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CNR1 P21554 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ RAB9A P51151 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
SCHEMBL22933156 0.85 CD38 (0.78) CD38
SCHEMBL28722981 0.85 CD38 (0.78) CD38
SCHEMBL22933155 0.82 CD38 (0.53) CD38IRAK4
SCHEMBL22936248 0.80 CD38 (0.71) CD38
SCHEMBL29495257 0.80 CD38 (0.41) CD38
SCHEMBL28722350 0.79 CD38 (0.46) CD38
SCHEMBL29495224 0.79 CD38 (0.46) CD38
SCHEMBL23329529 0.74 CD38 (0.56) CD38IRAK4
SCHEMBL23304751 0.74 CD38 (0.85) CD38HTTALDH1A1
SCHEMBL22932654 0.74 CD38 (0.71) CD38KDM4ETSHRHTTLMNA

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
Send feedback