SCHEMBL9952960

SCHEMBL9952960

COc1c(CCO)cc(Cl)c(F)c1C1CN(C(=O)O)C1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.31
DRD3 P35462 3/20 0.31
CYP1A2 P05177 2/20 0.31
CYP2D6 P10635 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
DRD4 P21917 1/20 0.31
HIF1A Q16665 1/20 0.31
TP53 P04637 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
IMPDH2 P12268 1/20 0.30
PMP22 Q01453 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
SCHEMBL9952461 0.91 DRD2 (0.31) DRD2DRD3CYP1A2CYP2D6MEN1
SCHEMBL9952908 0.90 TAAR1 (0.34) DRD2DRD3CYP1A2
SCHEMBL14742480 0.89 PIK3CD (0.36) KMT2ALMNA
SCHEMBL15995215 0.88 DRD2 (0.32) DRD2DRD3CYP1A2CYP2D6MEN1
SCHEMBL14742669 0.87 IMPDH2 (0.37) DRD2DRD3CYP1A2CYP2D6MEN1
SCHEMBL9952310 0.86 KAT5 (0.37)
SCHEMBL14742482 0.84 AXL (0.41) DRD2DRD3
SCHEMBL9928913 0.80 LMNA (0.35) LMNA
SCHEMBL14742389 0.80 PIK3CD (0.34) KMT2ALMNA
SCHEMBL14742476 0.80 DRD2 (0.32) DRD2DRD3KMT2A

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