SCHEMBL24933796

SCHEMBL24933796

NC(=O)c1cc(-c2ccc(OCc3cnccn3)cc2)c(C(F)(F)F)[nH]c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.42
HSD17B1 P14061 4/20 0.39
HSD17B2 P37059 4/20 0.39
DHODH Q02127 1/20 0.36
PARP10 Q53GL7 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAA1 Q13131 1/20 0.35
PRKAG3 Q9UGI9 1/20 0.35
PRKAG2 Q9UGJ0 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
MAPK14 Q16539 1/20 0.35
SMO Q99835 1/20 0.35
PDE10A Q9Y233 4/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
MKNK1 Q9BUB5 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
SCHEMBL30240711 1.00 SYK (0.42) SYKHSD17B1HSD17B2DHODHPARP10
SCHEMBL30240779 0.87 PARP10 (0.51) SYKDHODHPARP10MAPK14SMO
SCHEMBL24933620 0.87 PARP10 (0.51) SYKDHODHPARP10MAPK14SMO
SCHEMBL24933881 0.87 HSD17B1 (0.38) HSD17B1HSD17B2DHODHMAPK14SMO
SCHEMBL24933841 0.87 HDAC1 (0.36) HSD17B1HSD17B2DHODHPRKAB2PRKAG1
SCHEMBL24933386 0.87 CDC7 (0.38) HSD17B1HSD17B2DHODHPARP10CDK5
SCHEMBL24933845 0.86 SYK (0.42) SYKHSD17B1HSD17B2DHODHPARP10
SCHEMBL24933808 0.86 PDE10A (0.39) HSD17B1HSD17B2DHODHPARP10PRKAB2
SCHEMBL24933190 0.86 PRKAB2 (0.48) DHODHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL24933646 0.85 MAOB (0.44) HSD17B1HSD17B2DHODHPARP10CDK5

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