SCHEMBL24933882

SCHEMBL24933882

CCOc1ccncc1COc1ccc(-c2cc(C(N)=O)c(=O)[nH]c2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 1/20 0.43
MKNK2 Q9HBH9 1/20 0.43
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
HSD17B1 P14061 4/20 0.38
HSD17B2 P37059 4/20 0.38
PDE10A Q9Y233 2/20 0.35
RET P07949 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
GSK3B P49841 1/20 0.34
IKBKB O14920 1/20 0.34
CHUK O15111 1/20 0.34
CSF1R P07333 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
CHEK2 O96017 1/20 0.33
CYP11B2 P19099 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL30240778 1.00 MKNK1 (0.43) MKNK1MKNK2CDK5CDK5R1HSD17B1
SCHEMBL24933028 0.92 PARP10 (0.41) MKNK1MKNK2CDK5CDK5R1HSD17B1
SCHEMBL30240731 0.92 PARP10 (0.41) MKNK1MKNK2CDK5CDK5R1HSD17B1
SCHEMBL24933856 0.90 MKNK1 (0.39) MKNK1MKNK2CDK5CDK5R1HSD17B1
SCHEMBL24933735 0.89 HSD17B1 (0.41) MKNK1MKNK2CDK5CDK5R1HSD17B1
SCHEMBL30240751 0.89 HSD17B1 (0.41) MKNK1MKNK2CDK5CDK5R1HSD17B1
SCHEMBL24933386 0.86 CDC7 (0.38) MKNK1MKNK2CDK5CDK5R1HSD17B1
SCHEMBL24933607 0.84 HSD17B2 (0.39) CDK5CDK5R1HSD17B1HSD17B2GSK3B
SCHEMBL24933406 0.83 HSD17B1 (0.41) CDK5CDK5R1HSD17B1HSD17B2ALDH1A1
SCHEMBL30240675 0.83 HSD17B1 (0.41) CDK5CDK5R1HSD17B1HSD17B2ALDH1A1

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-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN claimed
CN-117980292-A Substituted pyridone compounds for the treatment of orthomyxoviral infections 诺华股份有限公司 2024-05-03 CN disclosed
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed