SCHEMBL29124580

SCHEMBL29124580

COC(=O)c1ccnc(C)c1-n1ccnn1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.38
PSMD14 O00487 1/20 0.37
NOTUM Q6P988 2/20 0.37
KDM4E B2RXH2 4/20 0.37
GLA P06280 2/20 0.37
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 2/20 0.35
JMJD6 Q6NYC1 1/20 0.35
DYRK1A Q13627 1/20 0.34
SLC40A1 Q9NP59 1/20 0.34
LMNA P02545 1/20 0.34
MAP2K1 Q02750 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
SCHEMBL9286585 0.84 NOTUM (0.40) NOTUMKDM4EHCRTR1HCRTR2
SCHEMBL29124819 0.78 EGLN2 (0.38) NOTUMKDM4EALDH1A1HCRTR1HCRTR2
SCHEMBL7468796 0.72 MYC (0.53) KDM4EALDH1A1GAAHCRTR1HCRTR2
SCHEMBL18367779 0.72 ALDH1A1 (0.47) NOTUMKDM4EALDH1A1GAAHCRTR1
SCHEMBL13041779 0.72 KDM4E (0.47) ATRPSMD14KDM4EGLAALDH1A1
SCHEMBL19481013 0.71 HCRTR1 (0.41) NOTUMHCRTR1HCRTR2
SCHEMBL17948707 0.71 KDM4E (0.46) ATRPSMD14KDM4EGLAALDH1A1
SCHEMBL31720064 0.71 KDM4E (0.46) ATRPSMD14KDM4EGLAALDH1A1
SCHEMBL23500690 0.69 ATR (0.48) ATRPSMD14KDM4EGLAALDH1A1
SCHEMBL17545204 0.69 KDM4E (0.53) ATRPSMD14KDM4EGLAALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116768859-A Azolopyrimidines for the treatment of cancer related disorders 艾库斯生物科学有限公司 2023-09-19 CN disclosed
CN-110214012-B Azolopyrimidines for the treatment of cancer related disorders 艾库斯生物科学有限公司 2023-05-09 CN disclosed