SCHEMBL29442152

SCHEMBL29442152

CCOC(=O)c1cc(Cl)nc2[nH]ccc12

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.61
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 4/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
JAK3 P52333 5/20 0.43
JAK1 P23458 3/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
JAK2 O60674 1/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL23780720 1.00 NUDT1 (0.61) NUDT1KDM4EALDH1A1HPGDKMT2A
SCHEMBL31347077 0.86 KDM4E (0.58) NUDT1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL2158555 0.86 KDM4E (0.58) NUDT1KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL14760220 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL29904837 0.78 ALDH1A1 (0.50) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL2158798 0.78 KDM4E (0.41) NUDT1KDM4EALDH1A1HPGDKMT2A
SCHEMBL10110217 0.77 NUDT1 (0.43) NUDT1JAK3JAK1JAK2
SCHEMBL31716012 0.77 HPGD (0.54) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL256760 0.76 NUDT1 (1.00) NUDT1KDM4EALDH1A1HPGDKMT2A
SCHEMBL29678449 0.76 NUDT1 (1.00) NUDT1KDM4EALDH1A1HPGDKMT2A

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-114174292-B Substituted 2-morpholinopyridine derivatives as ATR kinase inhibitors 修复治疗公司 2024-06-18 CN disclosed
CN-114174292-A Substituted 2-morpholinopyridine derivatives as ATR kinase inhibitors 修复治疗公司 2022-03-11 CN disclosed