SCHEMBL2011119

SCHEMBL2011119

Cc1cc(O)c(CC=O)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
IMPDH2 P12268 1/20 0.35
CYP3A4 P08684 3/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTPN1 P18031 1/20 0.34
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33

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
SCHEMBL935010 0.84 MEN1 (0.38) ALDH1A1SMN1; SMN2GAAKDM4EIMPDH2
SCHEMBL9953041 0.84 HPGD (0.42) LMNAALDH1A1SMN1; SMN2IMPDH2CYP3A4
SCHEMBL1578296 0.82 TSHR (0.41) ALDH1A1SMN1; SMN2GAAKDM4EIMPDH2
SCHEMBL1905388 0.81 ERCC1 (0.35) ALDH1A1SMN1; SMN2IMPDH2CYP3A4MEN1
SCHEMBL574139 0.80 LMNA (0.48) LMNAALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL9952911 0.79 CYP3A4 (0.35) ALDH1A1SMN1; SMN2KDM4ECYP3A4MEN1
SCHEMBL3656901 0.79 NPSR1 (0.41) ALDH1A1SMN1; SMN2GAAKDM4EIMPDH2
SCHEMBL6535477 0.78 LMNA (0.50) LMNAALDH1A1SMN1; SMN2GAAKDM4E
SCHEMBL6830840 0.78 PTPN1 (0.34) KDM4EPTPN1CD44GRIN2DGRIN3B
SCHEMBL15320818 0.78 ANO1 (0.35) SMN1; SMN2IMPDH2CYP3A4MEN1HTT

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 8 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-2012135009-A1 PYRIMIDINE-4,6-DIAMINE DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-10-04 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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed