SCHEMBL8404114

SCHEMBL8404114

Oc1nnc2cc(Cl)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 2/20 0.60
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
KMT2A Q03164 1/20 0.44
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
DYRK1A Q13627 1/20 0.42
PIK3R1 P27986 1/20 0.40
PIK3CA P42336 1/20 0.40
NR4A2 P43354 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
PSMB8 P28062 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
PSMB5 P28074 1/20 0.37
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL8401963 0.92 PIK3CG (0.50) PIK3CGHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL11251348 0.78 PIK3CG (0.64) PIK3CGHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL8403348 0.78 ALDH1A1 (0.45) PIK3CGALDH1A1KDM4EMEN1KMT2A
SCHEMBL29581721 0.76 HSD17B10 (0.53) PIK3CGHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL6109697 0.76 HSD17B10 (0.53) PIK3CGHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL11602923 0.75 PIK3CG (0.60) PIK3CGHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL8749320 0.75 NQO2 (0.52) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL6366137 0.75 PIK3CG (1.00) PIK3CGHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL5157381 0.74 PIK3CG (0.58) PIK3CGHSD17B10ALDH1A1MAPTKDM4E
SCHEMBL2368025 0.74 HSD17B10 (0.52) PIK3CGHSD17B10ALDH1A1MAPTKDM4E

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-2017075052-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2017-05-04 WO disclosed
WO-2017042634-A2 USE OF DIANHYDROGALACTITOL OR DERIVATIVES AND ANALOGS THEREOF FOR TREATMENT OF NON-SMALL-CELL LUNG CARCINOMA, GLIOBLASTOMA, AND OVARIAN CARCINOMA BY INDUCTION OF DNA DAMAGE AND STALLING OF CELL CYCLE DEL MAR PHARMACEUTICALS (CA) 2017-03-16 WO disclosed
EP-3003321-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF TO TREAT RECURRENT MALIGNANT GLIOMA OR PROGRESSIVE SECONDARY BRIAN TUMOR Del Mar Pharmaceuticals (CA) 2016-04-13 EP disclosed
EP-2983674-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS Brown, Dennis M. (US) 2016-02-17 EP disclosed
EP-2872161-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF Del Mar Pharmaceuticals (CA) 2015-05-20 EP disclosed
WO-2014194312-A2 USE OF DIANHYDROGALACTITOL AND ANALOGS AND DERIVATIVES THEREOF TO TREAT RECURRENT MALIGNANT GLIOMA OR PROGRESSIVE SECONDARY BRIAN TUMOR DEL MAR PHARMACEUTICALS (CA) 2014-12-04 WO disclosed
WO-2014168986-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2014-10-16 WO disclosed
WO-2014004376-A2 METHODS FOR TREATING TYROSINE-KINASE-INHIBITOR-RESISTANT MALIGNANCIES IN PATIENTS WITH GENETIC POLYMORPHISMS OR AHI1 DYSREGULATIONS OR MUTATIONS EMPLOYING DIANHYDROGALACTITOL, DIACETYLDIANHYDROGALACTITOL, DIBROMODULCITOL, OR ANALOGS OR DERIVATIVES THEREOF DEL MAR PHARMACEUTICALS (CA) 2014-01-03 WO disclosed
US-5856325-A REDUCING INFLAMMATION BY INHIBITING PLA2 IN A MAMMAL BOEHRINGER MANNHEIM GMBH (DE) 1999-01-05 US disclosed
EP-0675881-B1 Use of benzotriazines as PLA2-Inhibitors and new benzotriazines BOEHRINGER MANNHEIM GMBH (DE) 1997-03-19 EP disclosed