Sugi Predict

Sugi Predict / Compounds / SCHEMBL9952270

SCHEMBL9952270

SCHEMBL9952270

COc1c(CCOC(N)=O)cc(Cl)c(C)c1C(O)CNC(C)(C)C(=O)CCl

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31

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
SCHEMBL9952271 0.77 IMPDH2 (0.30) —
SCHEMBL9952278 0.71 ALDH1A1 (0.38) RENKDM4EALDH1A1GAASLC2A1
SCHEMBL28712872 0.69 ALDH1A1 (0.44) RENKDM4EALDH1A1GAASLC2A1
SCHEMBL9952238 0.68 ADRB2 (0.36) KDM4EGAASLC2A1
SCHEMBL9952656 0.66 IMPDH2 (0.34) KDM4EALDH1A1GAA
SCHEMBL9953206 0.65 IMPDH2 (0.34) KDM4EALDH1A1GAA
SCHEMBL9952084 0.65 LMNA (0.38) KDM4EALDH1A1GAASLC2A1
SCHEMBL9952389 0.63 SLC2A1 (0.34) ALDH1A1SLC2A1
SCHEMBL14735927 0.62 ALDH1A1 (0.36) KDM4EALDH1A1GAA
SCHEMBL17138431 0.62 ADRB2 (0.37) KDM4EALDH1A1GAA

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