SCHEMBL4753235

SCHEMBL4753235

COc1ccc(OC(=O)c2ccc3nc(N)nc(N)c3c2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
DHFR P00374 8/20 0.52

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
SCHEMBL4756506 0.92 DHFR (0.50) KMT2ADHFR
SCHEMBL4753695 0.89 MAPT (0.50) KMT2ADHFR
SCHEMBL4753856 0.88 DHFR (0.48) KMT2ADHFR
SCHEMBL4755645 0.88 DHFR (0.53) DHFR
SCHEMBL4755401 0.85 DHFR (0.52) DHFR
SCHEMBL4755224 0.85 DHFR (0.52) KMT2ADHFR
SCHEMBL4753155 0.82 DHFR (0.48) DHFR
SCHEMBL4753175 0.81 DHFR (0.46) DHFR
SCHEMBL4753837 0.81 DHFR (0.53) DHFR
SCHEMBL13984040 0.79 DHFR (0.53) DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO claimed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed
WO-2008152142-A1 2 -AMINOQUINAZOLINE DERIVATIVES AND THEIR THERAPEUTIC USES SOFTCURE PHARMACEUTICALS AB (SE) 2008-12-18 WO disclosed