SCHEMBL20977435

SCHEMBL20977435

C#CC1(F)C(O)[C@@H](CO)O[C@H]1n1cnc2c(=O)[nH]c(NC(C)(C)C)nc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HPGD P15428 2/20 0.42
POLA1 P09884 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
ADORA2A P29274 6/20 0.39
ADORA3 P0DMS8 5/20 0.37
ADORA1 P30542 5/20 0.37
ADORA2B P29275 3/20 0.37
ALOX15 P16050 1/20 0.37
PAX8 Q06710 1/20 0.35
ADA P00813 1/20 0.35

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
SCHEMBL12149981 0.86 KDM4E (0.46) KDM4EHPGDPOLA1TAS1R3TAS1R1
SCHEMBL1378141 0.86 KDM4E (0.60) KDM4EHPGDPOLA1TAS1R3TAS1R1
SCHEMBL1378135 0.86 KDM4E (0.60) KDM4EHPGDPOLA1TAS1R3TAS1R1
SCHEMBL12758450 0.86 HPGD (0.46) KDM4EHPGDPOLA1ADORA2AADORA3
SCHEMBL17357693 0.86 HPGD (0.46) KDM4EHPGDPOLA1ADORA2AADORA3
SCHEMBL12281166 0.84 ADORA3 (0.48) HPGDADORA2AADORA3
SCHEMBL12194531 0.84 ADORA3 (0.48) HPGDADORA2AADORA3
SCHEMBL16023838 0.84 ADORA3 (0.48) HPGDADORA2AADORA3
SCHEMBL20977459 0.84 ADORA3 (0.48) HPGDADORA2AADORA3
SCHEMBL1375512 0.84 ADORA3 (0.48) HPGDADORA2AADORA3

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-2120566-B1 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2019-05-08 EP disclosed