SCHEMBL29397635

SCHEMBL29397635

COC(=O)c1ccc2nc(CCF)c(=O)[nH]c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
EGFR P00533 2/20 0.55
HSD17B10 Q99714 3/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PARP1 P09874 5/20 0.47
BRD4 O60885 1/20 0.47
CSNK2A1 P68400 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
CYP2C9 P11712 1/20 0.45
PARP2 Q9UGN5 2/20 0.45
PARP3 Q9Y6F1 1/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL22912802 1.00 KDM4E (0.57) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL22912726 0.89 EGFR (0.56) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL29395745 0.89 EGFR (0.56) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL22912783 0.86 KDM4E (0.57) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL22963779 0.84 KDM4E (0.56) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL29396732 0.84 KDM4E (0.62) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL22912779 0.84 KDM4E (0.62) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL29396283 0.84 KDM4E (0.56) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL30908290 0.79 KDM4E (0.61) KDM4EALDH1A1LMNAHTTL3MBTL1
SCHEMBL6304842 0.78 KDM4E (0.70) KDM4EALDH1A1LMNAHTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348115-B Combination of antibody-drug conjugate and PARP1 selective inhibitor ASTRAZENECA UK LTD. (GB) 2026-05-26 CN disclosed
CN-114144413-B PARP1 inhibitors 阿斯利康(瑞典)有限公司 2024-08-16 CN disclosed
CN-116348115-A Combination of antibody-drug conjugate and PARP1 selective inhibitor 阿斯利康(英国)有限公司 2023-06-27 CN disclosed
EP-3999506-A1 PARP1 INHIBITORS Astrazeneca AB (SE) 2022-05-25 EP disclosed
CN-114144413-A PARP1 inhibitors 阿斯利康(瑞典)有限公司 2022-03-04 CN disclosed