SCHEMBL7973176

SCHEMBL7973176

COc1ccc(-c2nc3ncnc(N)c3cc2-c2ccc(C)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADK P55263 16/20 0.77
KMT2A Q03164 2/20 0.50
PPARG P37231 1/20 0.50
NR2E3 Q9Y5X4 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
MAP4K4 O95819 1/20 0.49

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
SCHEMBL7971477 0.92 ADK (0.66) ADKKMT2APPARGNR2E3NCOR2
SCHEMBL8153484 0.91 ADK (0.83) ADKPPARGNR2E3NCOR2
SCHEMBL7973133 0.89 ADK (0.62) ADKMAP4K4
SCHEMBL7974874 0.87 ADK (0.77) ADKPPARGNR2E3NCOR2
SCHEMBL8141603 0.87 ADK (1.00) ADK
SCHEMBL7961521 0.87 ADK (0.67) ADKPPARGNR2E3NCOR2
SCHEMBL7971463 0.87 ADK (0.67) ADKPPARGNR2E3NCOR2
SCHEMBL7961439 0.86 ADK (0.65) ADKPPARGNR2E3NCOR2
SCHEMBL7973088 0.86 ADK (0.65) ADK
SCHEMBL7974716 0.86 ADK (0.76) 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
WO-2001057040-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed
EP-0979230-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS Abbott Laboratories (US) 2000-02-16 EP disclosed
WO-1998046603-A1 6,7-DISUBSTITUTED-4-AMINOPYRIDO[2,3-D]PYRIMIDINE COMPOUNDS ABBOTT LABORATORIES (US) 1998-10-22 WO disclosed