SCHEMBL5167029

SCHEMBL5167029

Nc1nc(NCc2nccc3ccccc23)nc(C[C@H]2CC[C@H](N)CC2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 7/20 0.38
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
POLB P06746 2/20 0.37
GAA P10253 1/20 0.36
KMT2A Q03164 6/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MEN1 O00255 2/20 0.35
BLM P54132 2/20 0.35
RECQL P46063 1/20 0.35
PKM P14618 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
ATM Q13315 1/20 0.35
CDK5R1 Q15078 1/20 0.35
L3MBTL1 Q9Y468 2/20 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
SCHEMBL4490150 0.87 MAPT (0.42) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL4470722 0.86 NPY1R (0.43) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL4480565 0.86 MGMT (0.43) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL4479923 0.84 MAPT (0.39) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL5165782 0.84 MAPT (0.39) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL4489265 0.84 SMN1; SMN2 (0.40) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL4475566 0.83 MAPT (0.60) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL4482733 0.82 MAPT (0.37) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL4481037 0.82 MAPT (0.42) MAPTLMNAALDH1A1SMN1; SMN2POLB
SCHEMBL4473465 0.81 MAPT (0.47) MAPTLMNAALDH1A1SMN1; SMN2POLB

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