SCHEMBL2900798

SCHEMBL2900798

O=C(Nc1ccccc1-c1nc2cccnc2s1)c1ccncn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
TP53 P04637 2/20 0.56
POLB P06746 3/20 0.56
ALDH1A1 P00352 2/20 0.55
HPGD P15428 2/20 0.55
KDM4E B2RXH2 3/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 1/20 0.53
HTT P42858 1/20 0.53
THRB P10828 2/20 0.52
LMNA P02545 3/20 0.50
GAA P10253 1/20 0.50
AHR P35869 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
RXFP1 Q9HBX9 1/20 0.46
ATM Q13315 1/20 0.46

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
SCHEMBL985457 0.87 KDM4E (0.57) MAPTTP53POLBALDH1A1HPGD
SCHEMBL2925364 0.82 HPGD (0.60) MAPTTP53POLBALDH1A1HPGD
SCHEMBL12030352 0.81 MAPT (0.59) MAPTTP53POLBALDH1A1HPGD
SCHEMBL983454 0.81 KDM4E (0.60) MAPTTP53POLBALDH1A1HPGD
SCHEMBL982847 0.79 KDM4E (0.56) MAPTTP53POLBALDH1A1HPGD
SCHEMBL985056 0.79 ALDH1A1 (0.52) MAPTTP53POLBALDH1A1HPGD
SCHEMBL12949238 0.79 KDM4E (0.58) MAPTTP53POLBALDH1A1HPGD
SCHEMBL984002 0.78 MAPT (0.48) MAPTTP53POLBALDH1A1HPGD
SCHEMBL985548 0.77 MAPT (0.53) MAPTTP53POLBALDH1A1HPGD
SCHEMBL12949244 0.77 MAPT (0.51) MAPTTP53POLBALDH1A1HPGD

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-2217606-A1 SOLUBILIZED THIAZOLOPYRIDINES Sirtris Pharmaceuticals, Inc. (US) 2010-08-18 EP disclosed
WO-2009061453-A1 SOLUBILIZED THIAZOLOPYRIDINES SIRTRIS PHARMACEUTICALS, INC. (US) 2009-05-14 WO disclosed