SCHEMBL8199233

SCHEMBL8199233

[c]1cnc(N2CCC(=NOC3CCOCC3)CC2)cn1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADK P55263 2/20 0.42
AKT1 P31749 1/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL8194012 0.82 ADK (0.43) ADK
SCHEMBL8194100 0.77 ADK (0.43) ADK
SCHEMBL1110166 0.75 CYP2C19 (0.42) PIK3CA
SCHEMBL8185210 0.69 ADK (0.33) ADK
SCHEMBL8193074 0.68 LMNA (0.33)
SCHEMBL4573322 0.67 MAPT (0.36)
SCHEMBL8192330 0.64 ADK (0.30) ADK
SCHEMBL8218481 0.64 ALDH1A1 (0.41) ADKPIK3CAMTOR
SCHEMBL12615095 0.63 HRH4 (0.47)
SCHEMBL8193374 0.63

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
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO claimed
WO-2000023444-A1 5,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2000-04-27 WO disclosed