SCHEMBL24933003

SCHEMBL24933003

OCc1cncc(C2CCOC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.39
CYP11B1 P15538 2/20 0.39
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
PIK3CB P42338 1/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
ATRIP Q8WXE1 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
GRK2 P25098 1/20 0.34
CLK1 P49759 1/20 0.34
GSK3B P49841 1/20 0.34
MAPK1 P28482 4/20 0.33
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 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
SCHEMBL30240861 1.00 CYP11B2 (0.39) CYP11B2CYP11B1PRMT5WDR77PIK3CB
SCHEMBL24933559 0.81 CYP11B2 (0.39) CYP11B2CYP11B1PRMT5WDR77CYP2A6
SCHEMBL17820615 0.78 CYP11B2 (0.42) CYP11B2CYP11B1GSK3BCYP2A6NOS3
SCHEMBL23647871 0.76 DRD2 (0.47) PRMT5WDR77PIK3CBPRKDCATM
SCHEMBL29865963 0.76 DRD2 (0.47) PRMT5WDR77PIK3CBPRKDCATM
SCHEMBL20401106 0.75 ALOX5 (0.40) PRMT5WDR77PRKAB2PRKAG1PRKAA2
SCHEMBL30227495 0.74 PRMT5 (0.36) CYP11B2CYP11B1PRMT5WDR77PRKAB2
SCHEMBL25816434 0.71 CYP11B1 (0.38) CYP11B2CYP11B1CCNA2CDK2GRK2
SCHEMBL9156445 0.70 CYP11B1 (0.40) CYP11B2CYP11B1CYP2A6NOS3NOS1
SCHEMBL31371169 0.69 PRMT5 (0.38) PRMT5WDR77MAPK1PRKAB2PRKAG1

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-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