SCHEMBL1905388

SCHEMBL1905388

O=CCc1cc(Cl)c(F)cc1O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERCC1 P07992 2/20 0.35
▸ ERCC4 Q92889 2/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ANO1 Q5XXA6 1/20 0.32
▸ IMPDH2 P12268 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ERN1 O75460 4/20 0.31
▸ ALDH1A1 P00352 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
SCHEMBL9953041 0.88 HPGD (0.42) ERCC1ERCC4MEN1CYP1A2CYP3A4
SCHEMBL1578296 0.86 TSHR (0.41) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12486984 0.82 KDM1A (0.36) GPR84ALDH1A1TDP1
SCHEMBL2011119 0.81 LMNA (0.43) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15320818 0.81 ANO1 (0.35) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30404053 0.79 HIF1A (0.46) ERCC1ERCC4PIK3CAGPR84MEN1
SCHEMBL3645037 0.77 HMGCR (0.42) HPGDSMN1; SMN2IMPDH2ERN1ALDH1A1
SCHEMBL1902933 0.77 HTR2A (0.41) MEN1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL10517540 0.76 MEN1 (0.44) MEN1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1823434 0.76 PTPN1 (0.37) MEN1CYP1A2CYP3A4CYP2D6CYP2C9

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 13 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-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-2013151930-A1 BICYCLIC AZAHETEROCYCLOBENZYLAMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2013-10-10 — — WO 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
EP-2493862-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS Newlink Genetics Corporation (US) 2012-09-05 — — EP 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-2011056652-A1 IMIDAZOLE DERIVATIVES AS IDO INHIBITORS NEWLINK GENETICS (US) 2011-05-12 — — WO disclosed
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