SCHEMBL29495166

SCHEMBL29495166

C=C(OCC)c1nc(-n2ccnc2)nc2nc(C)[nH]c12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD38 P28907 18/20 0.53
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.34
MITF O75030 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL28722470 0.86 CD38 (0.58) CD38KDM4ETSHRMAPK1ATM
SCHEMBL31124712 0.86 CD38 (0.58) CD38KDM4ETSHRMAPK1ATM
SCHEMBL28722358 0.81 CD38 (0.55) CD38
SCHEMBL28938322 0.79 CD38 (0.64) CD38
SCHEMBL28723003 0.79 CD38 (0.54) CD38
SCHEMBL29495194 0.77 CD38 (0.47) CD38KDM4ETSHRMAPK1ATM
SCHEMBL29495167 0.76 CD38 (0.53) CD38KDM4ETSHRMAPK1ATM
SCHEMBL29495178 0.72
SCHEMBL22932812 0.70 CD38 (1.00) CD38
SCHEMBL29696396 0.70 CD38 (1.00) 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 3 patents. 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
CN-114423753-B Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2024-09-17 CN disclosed
CN-114423753-A Heterobicyclic amides as CD38 inhibitors 里邦医疗公司 2022-04-29 CN disclosed