SCHEMBL5547979

SCHEMBL5547979

CC(C)(C)OC(=O)ON1CCc2nc(NC(=O)c3cc(Cl)cc(Cl)c3)ncc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
JAK2 O60674 7/20 0.38
SRC P12931 5/20 0.38
PDGFRB P09619 5/20 0.38
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
KDR P35968 4/20 0.37
OGA O60502 1/20 0.37
JAK1 P23458 1/20 0.36
CYP2D6 P10635 1/20 0.36
ENPP2 Q13822 1/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35

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
SCHEMBL5544790 0.91 MAPT (0.49) MAPTJAK2SRCPDGFRBKDM4E
SCHEMBL3533394 0.85 MAPT (0.58) MAPTPDGFRBKDM4ECYP1A2CYP3A4
SCHEMBL15643253 0.84 PDGFRB (0.45) MAPTJAK2SRCPDGFRBKDM4E
SCHEMBL5544786 0.78 MAPT (0.42) MAPTKDM4ELMNAPOLBENPP2
SCHEMBL5544780 0.78 MAPT (0.44) MAPTPDGFRBKDR
SCHEMBL3530807 0.77 MAPT (0.58) MAPTJAK2SRCPDGFRBKDM4E
SCHEMBL3532204 0.71 KMT2A (0.47) MAPTPDGFRBKDM4ELMNAKDR
SCHEMBL3528709 0.71 JAK2 (0.57) JAK2SRCPDGFRBKDRJAK1
SCHEMBL3529839 0.71 HSP90AB1 (0.46) MAPTJAK2SRCPDGFRBKDR
SCHEMBL31590860 0.71 MAPT (0.71) MAPTPDGFRBKDRDDB1CRBN

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