SCHEMBL5774769

SCHEMBL5774769

O=C(O)N1CCc2nc(CN3CCCCC3)ncc2C1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.43
HSP90B1 P14625 5/20 0.38
PDGFRB P09619 2/20 0.38
HSP90AB1 P08238 4/20 0.37
ENPP2 Q13822 1/20 0.37
MAPT P10636 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
SCHEMBL5776735 0.99 HSP90AA1 (0.43) HSP90AA1HSP90B1PDGFRBHSP90AB1ENPP2
SCHEMBL5777155 0.83 HSP90AA1 (0.39) HSP90AA1HSP90B1PDGFRBHSP90AB1ENPP2
SCHEMBL5777572 0.83 HSP90AA1 (0.41) HSP90AA1HSP90B1PDGFRBHSP90AB1ENPP2
SCHEMBL30405316 0.82 HSP90AA1 (0.42) HSP90AA1HSP90B1PDGFRBHSP90AB1ENPP2
SCHEMBL28907586 0.82 HSP90AA1 (0.42) HSP90AA1HSP90B1PDGFRBHSP90AB1ENPP2
SCHEMBL5776309 0.79 HSP90AA1 (0.44) HSP90AA1HSP90B1PDGFRBHSP90AB1ENPP2
SCHEMBL28745179 0.78 HTR2C (0.54) PDGFRBHSP90AB1ENPP2
SCHEMBL6282952 0.75 HSP90AA1 (0.40) HSP90AA1HSP90B1PDGFRBHSP90AB1ENPP2
SCHEMBL6730319 0.75 PDGFRB (0.36) HSP90AA1HSP90B1PDGFRBHSP90AB1ENPP2
SCHEMBL23501691 0.74 HSP90AB1 (0.59) PDGFRBHSP90AB1

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
EP-1483257-B1 QUINAZOLINE COMPOUNDS USEFUL IN THERAPY PFIZER LTD (GB) 2006-09-13 EP disclosed