SCHEMBL9953041

SCHEMBL9953041

O=CCc1cc(Cl)c(Cl)cc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.42
TSHR P16473 4/20 0.42
HSD17B10 Q99714 4/20 0.42
ERN1 O75460 3/20 0.36
ALOX15 P16050 2/20 0.35
ALOX12 P18054 2/20 0.35
CYP3A4 P08684 4/20 0.34
HSP90AA1 P07900 2/20 0.34
MEN1 O00255 2/20 0.34
HTT P42858 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SLC22A1 O15245 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HSPD1 P10809 1/20 0.34
HSPA5 P11021 1/20 0.34
IDO1 P14902 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL1578296 0.89 TSHR (0.41) HPGDTSHRHSD17B10ERN1CYP3A4
SCHEMBL1905388 0.88 ERCC1 (0.35) HPGDTSHRERN1CYP3A4MEN1
SCHEMBL2011119 0.84 LMNA (0.43) HPGDALOX15ALOX12CYP3A4MEN1
SCHEMBL15320818 0.84 ANO1 (0.35) HPGDERN1ALOX15ALOX12CYP3A4
SCHEMBL3645037 0.80 HMGCR (0.42) HPGDERN1SMN1; SMN2ALDH1A1TDP1
SCHEMBL4764948 0.80 TAAR1 (0.44) HPGDERN1MEN1KMT2ASMN1; SMN2
SCHEMBL10517540 0.79 MEN1 (0.44) HPGDHSD17B10ALOX15ALOX12CYP3A4
SCHEMBL2597823 0.79 HIF1A (0.61) HPGDTSHRHSD17B10ERN1ALOX15
SCHEMBL2318939 0.79 ERN1 (0.47) HPGDTSHRHSD17B10ERN1ALOX15
SCHEMBL13767807 0.75 HPGD (0.48) HPGDTSHRHSD17B10ALOX15ALOX12

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 7 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