SCHEMBL31246456

SCHEMBL31246456

CNc1nc(Cl)nc2c1CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ESR2 Q92731 1/20 0.42
MKNK1 Q9BUB5 3/20 0.40
MTOR P42345 2/20 0.40
ADORA1 P30542 1/20 0.39
C5AR1 P21730 1/20 0.39
NR1H2 P55055 1/20 0.39
GRAMD1A Q96CP6 1/20 0.39
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
PDE10A Q9Y233 1/20 0.38
HSP90AA1 P07900 1/20 0.37
HSP90B1 P14625 1/20 0.37
PRKCI P41743 1/20 0.37
STS P08842 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
F12 P00748 1/20 0.36

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
SCHEMBL31246476 0.91 PARP1 (0.47) MAPTESR2MKNK1MTORADORA1
SCHEMBL25574315 0.91 PARP1 (0.47) MAPTESR2MKNK1MTORADORA1
SCHEMBL31016583 0.89 MKNK1 (0.38) ESR2MKNK1MTORC5AR1PARP1
SCHEMBL417213 0.85 ESR2 (0.45) MAPTESR2MKNK1MTORADORA1
SCHEMBL30887681 0.85 ESR2 (0.45) MAPTESR2MKNK1MTORADORA1
SCHEMBL31067085 0.84 ESR2 (0.47) MAPTESR2MKNK1MTORADORA1
SCHEMBL31246446 0.83 MAPT (0.40) MAPTESR2MKNK1MTORADORA1
SCHEMBL15440653 0.81 ACHE (0.49) MAPTESR2MTORC5AR1PDE10A
SCHEMBL31623613 0.81 MAPT (0.42) MAPTESR2MKNK1MTORADORA1
SCHEMBL31014063 0.81 MTOR (0.42) MAPTESR2MTORADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024235876-A1 PYRIDOPYRIMIDINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS FERNANDEZ CAPETILLO OSCAR (SE) 2024-11-21 WO disclosed