SCHEMBL14742196

SCHEMBL14742196

COc1c(CCCl)cc(Cl)c(C)c1C1CC(O)C1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.33
PIK3CD O00329 2/20 0.31
SLC2A1 P11166 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
SCHEMBL14742283 0.90 IMPDH2 (0.33) IMPDH2PIK3CDSLC2A1
SCHEMBL14742212 0.83 HTR2C (0.33) IMPDH2PIK3CD
SCHEMBL14742518 0.79 IMPDH2 (0.37) IMPDH2PIK3CD
SCHEMBL14742440 0.79 PIK3CD (0.33) PIK3CD
SCHEMBL14742657 0.77 IMPDH2 (0.36) IMPDH2PIK3CD
SCHEMBL14736161 0.75 PIK3CD (0.41) PIK3CD
SCHEMBL14736186 0.75 PIK3CD (0.41) PIK3CD
SCHEMBL14742311 0.74 DRD2 (0.44) PIK3CD
SCHEMBL14742563 0.74 IMPDH2 (0.33) IMPDH2PIK3CDSLC2A1
SCHEMBL15995059 0.72 TGFBR1 (0.36) IMPDH2PIK3CD

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 4 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
WO-2013033569-A1 HETEROCYCLYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-03-07 WO disclosed