SCHEMBL5686125

SCHEMBL5686125

NC(=O)c1c(Oc2ccc(OCc3ccccc3)cc2)nc(N)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.50
MAPT P10636 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45
MGMT P16455 1/20 0.45
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CCNA1 P78396 1/20 0.45
BTK Q06187 3/20 0.44
MCL1 Q07820 2/20 0.43
ADORA2A P29274 1/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
CHEK2 O96017 1/20 0.43
GAA P10253 1/20 0.43
MAOA P21397 1/20 0.43

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
SCHEMBL4559145 0.87 ADORA2A (0.56) PARP10BTKADORA2AGAA
SCHEMBL5686147 0.86 MGMT (0.45) MAPTNPSR1CDK1CCNB1MGMT
SCHEMBL4559176 0.81 SIRT2 (0.45) MAPTNPSR1BTKADORA2ACHEK2
SCHEMBL15621967 0.78 DHFR (0.52) PARP10MAPTNPSR1ADORA2AGAA
SCHEMBL4559387 0.75 LMNA (0.45) BTKADORA2A
SCHEMBL5689008 0.75 LMNA (0.43) MAPTNPSR1ADORA2AGAA
SCHEMBL4559639 0.75 ADORA2A (0.39) ADORA2AGAA
SCHEMBL5686383 0.71 BTK (0.41) BTKADORA2AGAA
SCHEMBL15621964 0.71 NPC1 (0.50) PARP10BTKGAARAB9ASMN1; SMN2
SCHEMBL22139522 0.69 PTGS1 (0.48) MAPTNPSR1ADORA2APTGS1PTGS2

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-1648464-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINCARBOXAMID DERIVATIVES AND RELATED COMPOUNDS AS T-CELL ACTIVATION INHIBITORS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2006-04-26 EP disclosed
WO-2005009443-A1 2-AMINO-4-HYDROXY-5-PYRIMIDINECARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF T CELL ACTIVATION FOR THE TREATMENT OF INFLAMMATORY DISEASES AMGEN INC. (US) 2005-02-03 WO disclosed