SCHEMBL5177702

SCHEMBL5177702

Nc1nc(NCc2ccncc2)nc(C[C@H]2CC[C@H](Nc3ccccc3)CC2)c1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.49
MAPK1 P28482 3/20 0.48
KMT2A Q03164 3/20 0.46
BLM P54132 3/20 0.46
MEN1 O00255 2/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
ATM Q13315 1/20 0.46
CDK5R1 Q15078 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 3/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
PIK3CD O00329 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.42

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
SCHEMBL4473465 0.86 MAPT (0.47) MAPTMAPK1KMT2ABLMMEN1
SCHEMBL4475566 0.83 MAPT (0.60) MAPTMAPK1KMT2ABLML3MBTL1
SCHEMBL5177886 0.82 KMT2A (0.44) MAPTMAPK1KMT2ABLMMEN1
SCHEMBL4469214 0.77 KMT2A (0.46) MAPTMAPK1KMT2AMEN1POLB
SCHEMBL4489964 0.77 MAPT (0.49) MAPTMAPK1KMT2ABLML3MBTL1
SCHEMBL3812555 0.77 MAPT (0.49) MAPTMAPK1KMT2AL3MBTL1CYP1A2
SCHEMBL3813835 0.75 PKM (0.55) MAPTMAPK1BLMGSK3AGSK3B
SCHEMBL3812850 0.75 PRKCQ (0.55) MAPTMAPK1KMT2AMEN1GSK3A
SCHEMBL3819566 0.75 MAPT (0.47) MAPTMAPK1KMT2AMEN1L3MBTL1
SCHEMBL3813101 0.75 MAPT (0.47) MAPTMAPK1KMT2ABLMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765791-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-03-28 EP disclosed
WO-2006014482-A1 PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed