SCHEMBL9953809

SCHEMBL9953809

COc1c(CCOS(C)(=O)=O)cc(Cl)c(F)c1Br

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.37
MEP1B Q16820 1/20 0.33
ACLY P53396 1/20 0.30

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
SCHEMBL9951996 0.77 MEP1B (0.36) SLC2A1MEP1B
SCHEMBL9952809 0.77 TAAR1 (0.45)
SCHEMBL9952136 0.75 MEP1B (0.39) SLC2A1MEP1B
SCHEMBL18263323 0.70 DDR1 (0.37)
SCHEMBL9929288 0.69 ACLY (0.33) ACLY
SCHEMBL23673374 0.69 AKR1B1 (0.40)
SCHEMBL27176755 0.68 KDM4E (0.43)
SCHEMBL20303484 0.67 PSEN1 (0.39)
SCHEMBL20303695 0.67 CA1 (0.34)
SCHEMBL15137118 0.66 BMP1 (0.40)

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
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed