SCHEMBL30434883

SCHEMBL30434883

COC(=O)c1cccnc1C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 5/20 0.50
MAP2K1 Q02750 1/20 0.50
HSD17B10 Q99714 2/20 0.49
CFTR P13569 1/20 0.49
PKM P14618 1/20 0.48
POLB P06746 2/20 0.47
ATM Q13315 1/20 0.47
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
BLM P54132 1/20 0.46
AGER Q15109 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HPGD P15428 1/20 0.45
PARP1 P09874 1/20 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
SCHEMBL27372816 1.00 L3MBTL1 (0.53) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL29416324 0.87 L3MBTL1 (0.62) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL69990 0.87 L3MBTL1 (0.62) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL13485365 0.86 L3MBTL1 (0.57) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL30452153 0.86 L3MBTL1 (0.57) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL7369472 0.85 TDP1 (0.46) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL2800466 0.84 L3MBTL1 (0.54) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL519095 0.84 KDM4E (0.67) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL30503698 0.84 KDM4E (0.67) L3MBTL1TDP1KDM4EALDH1A1MAP2K1
SCHEMBL9198739 0.83 L3MBTL1 (0.53) L3MBTL1TDP1KDM4EALDH1A1MAP2K1

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
EP-4185296-A1 ADENOSINE A2A AND A2B RECEPTOR DUAL ANTAGONISTS FOR IMMUNO-ONCOLOGY Merck Sharp & Dohme LLC (US) 2023-05-31 EP disclosed