SCHEMBL7973058

SCHEMBL7973058

Cc1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADK P55263 15/20 0.74
KDM4E B2RXH2 2/20 0.60
HPGD P15428 2/20 0.60
PPARG P37231 2/20 0.60
MCL1 Q07820 2/20 0.60
PTK2B Q14289 2/20 0.60
NR2E3 Q9Y5X4 2/20 0.60
NCOR2 Q9Y618 2/20 0.60
NPSR1 Q6W5P4 1/20 0.60
POLB P06746 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45

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
SCHEMBL8153484 0.93 ADK (0.83) ADKKDM4EHPGDPPARGMCL1
SCHEMBL7974874 0.90 ADK (0.77) ADKKDM4EHPGDPPARGMCL1
SCHEMBL7974716 0.88 ADK (0.76) ADKKDM4EPPARGMCL1NR2E3
SCHEMBL7961356 0.87 ADK (0.78) ADKKDM4EPPARGMCL1NR2E3
SCHEMBL810187 0.87 ADK (0.76) ADKKDM4EHPGDPPARGMCL1
SCHEMBL7971554 0.87 ADK (0.74) ADKKDM4EPPARGMCL1NR2E3
SCHEMBL8137813 0.86 ADK (0.69) ADKKDM4EHPGDPPARGMCL1
SCHEMBL8137566 0.85 ADK (0.71) ADKKDM4EHPGDPPARGMCL1
SCHEMBL7971457 0.85 ADK (0.71) ADKAKT1AKT2
SCHEMBL7973176 0.85 ADK (0.77) ADKPPARGNR2E3NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001057040-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2001-08-09 WO claimed
EP-0979230-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-16 EP claimed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
WO-2001057040-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed