SCHEMBL6504937

SCHEMBL6504937

CC(=O)NCCCNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOC3)c2)c1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIP5K1C O60331 19/20 0.77
PIK3CA P42336 16/20 0.77
PIP5K1B O14986 3/20 0.70
PIP5K1A Q99755 3/20 0.70
PIK3CD O00329 2/20 0.70
PDGFRB P09619 2/20 0.70
PIK3CB P42338 2/20 0.70
PI4KA P42356 2/20 0.70
PIK3CG P48736 2/20 0.70
PDK1 Q15118 2/20 0.70
PI4KB Q9UBF8 2/20 0.70
MAPK8 P45983 2/20 0.64
MAPK10 P53779 2/20 0.64
MAPK14 Q16539 2/20 0.64

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
SCHEMBL6504296 0.97 PIP5K1C (0.79) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6530015 0.91 PIP5K1C (0.85) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6503198 0.90 PIP5K1C (0.79) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6533225 0.89 PIP5K1C (0.74) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6510087 0.89 PIP5K1C (0.85) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6501419 0.87 PIP5K1C (1.00) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6501794 0.87 PIP5K1C (0.73) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6507850 0.86 PIP5K1C (0.84) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6502234 0.85 PIP5K1C (0.83) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD
SCHEMBL6531186 0.85 PIP5K1C (0.70) PIP5K1CPIK3CAPIP5K1BPIP5K1APIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005003123-A1 NOVEL PYRIDINE DERIVATIVES AS JNK SPECIFIC INHIBITORS ASTRAZENECA AB (SE) 2005-01-13 WO claimed
EP-4713378-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS Covestro Deutschland AG (DE) 2026-03-25 EP disclosed
WO-2024236000-A1 ESTERIFIED ETHANOLAMINES FOR PREPARING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2024-11-21 WO disclosed
EP-3774961-A1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS Covestro Intellectual Property GmbH & Co. KG (DE) 2021-02-17 EP disclosed
WO-2019197638-A1 ADDUCTS OF AMINE CATALYSTS FOR PRODUCING ISOCYANURATE POLYMERS COVESTRO DEUTSCHLAND AG (DE) 2019-10-17 WO disclosed
EP-3298194-A2 METHODS FOR TREATING PAPERBOARDS AND PAPER MEDIA, AND ASSOCIATED PAPERBOARDS AND PAPER MEDIA BASF SE (DE) 2018-03-28 EP disclosed
EP-3107945-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2016-12-28 EP disclosed
EP-3107946-A1 A POLYISO-UREA BASF SE (DE) 2016-12-28 EP disclosed
WO-2015127038-A1 POST-MODIFIED POLYCARBODIIMIDES BASF SE (DE) 2015-08-27 WO disclosed
WO-2015127041-A1 A POLYISO-UREA BASF SE (DE) 2015-08-27 WO disclosed
WO-2005051381-A1 Substituted urea-octatydroindols as antagonists of melanin concentrating hormone receptor 1 (MCH1R) BIOVITRUM AB (SE) 2005-06-09 WO disclosed
WO-2005003123-A1 NOVEL PYRIDINE DERIVATIVES AS JNK SPECIFIC INHIBITORS ASTRAZENECA AB (SE) 2005-01-13 WO disclosed