SCHEMBL9952884

SCHEMBL9952884

CCOc1c(CC=O)cc(Cl)c(F)c1I

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
POLB P06746 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
SCHEMBL9953163 0.85 IMPDH2 (0.37) ALDH1A1CYP1A2
SCHEMBL9952242 0.84 IMPDH2 (0.36) LMNAHTTALDH1A1L3MBTL1CYP1A2
SCHEMBL14742267 0.81 LMNA (0.34) LMNAHTTALDH1A1L3MBTL1CYP1A2
SCHEMBL9953070 0.79 HTR2A (0.39) LMNAHTTCYP1A2
SCHEMBL9952103 0.75 ERN1 (0.30)
SCHEMBL9953841 0.75 LMNA (0.39) LMNAHTTALDH1A1L3MBTL1CYP1A2
SCHEMBL9929183 0.73 CYP3A4 (0.41) LMNAHTTALDH1A1CYP1A2CYP2D6
SCHEMBL18038554 0.73 LMNA (0.38) LMNAHTTALDH1A1L3MBTL1
SCHEMBL28114021 0.72 LMNA (0.38) LMNAHTTALDH1A1CYP1A2CYP2D6
SCHEMBL20254981 0.72 PDE2A (0.36) LMNAHTTALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021158891-A1 SALTS AND SOLID FORMS AND PROCESSES OF PREPARING A PI3K INHIBITOR INCYTE CORPORATION (US) 2021-08-12 WO disclosed
EP-3801533-A1 DOSING REGIMEN FOR THE TREATMENT OF PI3K RELATED DISORDERS Incyte Corporation (US) 2021-04-14 EP disclosed
EP-3262046-A1 SALTS OF PI3K INHIBITOR AND PROCESSES FOR THEIR PREPARATION Incyte Corporation (US) 2018-01-03 EP disclosed
WO-2016138363-A1 SALTS OF PI3K INHIBITOR AND PROCESSES FOR THEIR PREPARATION INCYTE CORPORATION (US) 2016-09-01 WO disclosed
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