SCHEMBL4238488

SCHEMBL4238488

O=C1N=c2c(ccc3c2=CC=N3)C(=O)N1

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.41

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
SCHEMBL2492286 0.80 CYP19A1 (0.34) CYP19A1
SCHEMBL435414 0.71
SCHEMBL3242470 0.70 CYP19A1 (0.37) CYP19A1
SCHEMBL1119818 0.66 CYP19A1 (0.36) CYP19A1
SCHEMBL2398838 0.65 CYP19A1 (0.30) CYP19A1
SCHEMBL10536064 0.65 GSK3B (0.32)
SCHEMBL31285568 0.62 CYP19A1 (0.34) CYP19A1
SCHEMBL1059783 0.61
SCHEMBL5433994 0.59
SCHEMBL3475574 0.56 GSK3B (0.35)

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
WO-2009111547-A1 7H-PYRROLO[2,3-H]QUINAZOLINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESIS WYETH (US) 2009-09-11 WO disclosed