SCHEMBL5165782

SCHEMBL5165782

Nc1nc(NCc2ncccc2O)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
POLB P06746 1/20 0.38
LMNA P02545 7/20 0.36
ALDH1A1 P00352 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
PKM P14618 2/20 0.36
KMT2A Q03164 5/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
MEN1 O00255 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
BLM P54132 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL4479923 0.89 MAPT (0.39) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4489265 0.89 SMN1; SMN2 (0.40) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4481037 0.86 MAPT (0.42) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4483276 0.85 MAPT (0.39) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4480565 0.85 MGMT (0.43) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4484345 0.84 SMN1; SMN2 (0.39) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL5167029 0.84 MAPT (0.41) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4482733 0.83 MAPT (0.37) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4475566 0.82 MAPT (0.60) MAPTPOLBLMNAALDH1A1SMN1; SMN2
SCHEMBL4489964 0.82 MAPT (0.49) MAPTPOLBLMNAALDH1A1SMN1; SMN2

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