SCHEMBL5544790

SCHEMBL5544790

CC(C)(C)OC(=O)ON1CCc2nc(NC(=O)c3cccc(Cl)c3)ncc2C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
KDR P35968 11/20 0.44
PDGFRB P09619 8/20 0.44
JAK2 O60674 5/20 0.44
SRC P12931 3/20 0.44
TP53 P04637 1/20 0.40

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
SCHEMBL5547979 0.91 MAPT (0.42) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL3530807 0.87 MAPT (0.58) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL15643253 0.82 PDGFRB (0.45) MAPTKDM4ELMNAKDRPDGFRB
SCHEMBL5544786 0.79 MAPT (0.42) MAPTKDM4ELMNAPOLBTP53
SCHEMBL3533394 0.78 MAPT (0.58) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL3528264 0.76 CYP1A2 (0.52) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL3528933 0.76 KDM4E (0.49) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL3528741 0.76 CYP3A4 (0.53) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL3531464 0.75 PDGFRB (0.61) MAPTKDM4ELMNACYP1A2POLB
SCHEMBL5544780 0.75 MAPT (0.44) MAPTKDRPDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1742925-B1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS GRUENENTHAL GMBH (DE) 2014-04-23 EP disclosed
EP-1742925-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2007-01-17 EP disclosed
WO-2005105759-A1 SUBSTITUTED 5, 6, 7, 8-TETRAHYDRO-PYRIDO[4, 3-D]PYRIMIDINE-2-YL COMPOUNDS AND 5, 6, 7, 8-TETRAHYDRO-QUINAZOLINE-2-YL COMPOUNDS Grünenthal GmbH (DE) 2005-11-10 WO disclosed