SCHEMBL9953161

SCHEMBL9953161

COc1c(CC=O)cc(Cl)c(C)c1I

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 11/20 0.47
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SLC2A1 P11166 1/20 0.32
CYP1A2 P05177 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 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
SCHEMBL9952188 0.85 IMPDH2 (0.39) IMPDH2KDM4EALDH1A1GAASLC2A1
SCHEMBL9952242 0.84 IMPDH2 (0.36) IMPDH2ALDH1A1GAACYP1A2KMT2A
SCHEMBL9953163 0.83 IMPDH2 (0.37) IMPDH2KDM4EALDH1A1GAASLC2A1
SCHEMBL9952629 0.81 IMPDH2 (0.47) IMPDH2KDM4EALDH1A1GAASLC2A1
SCHEMBL9952076 0.81 IMPDH2 (0.47) IMPDH2KDM4EALDH1A1GAASLC2A1
SCHEMBL20240848 0.80 IMPDH2 (0.37) IMPDH2KDM4EALDH1A1GAA
SCHEMBL9953135 0.79 IMPDH2 (0.36) IMPDH2
SCHEMBL14742448 0.78 IMPDH2 (0.45) IMPDH2KDM4EALDH1A1GAASLC2A1
SCHEMBL20241159 0.77 IMPDH2 (0.38) IMPDH2KDM4EALDH1A1GAASLC2A1
SCHEMBL9953479 0.76 TSHR (0.43) IMPDH2KDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961410-A1 USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3K RELATED DISORDERS Incyte Holdings Corporation (US) 2016-01-06 EP disclosed
WO-2014134426-A1 USE OF PYRAZOLOPYRIMIDINE DERIVATIVES FOR THE TREATMENT OF PI3Kδ RELATED DISORDERS INCYTE CORPORATION (US) 2014-09-04 WO disclosed
EP-2751109-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS Incyte Corporation (US) 2014-07-09 EP disclosed
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2013033569-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 WO disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed