SCHEMBL4756506

SCHEMBL4756506

COc1ccc(OC(=O)c2ccc3nc(N)nc(N)c3c2)cc1OC

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL4753235 0.92 KMT2A (0.52) DHFRKMT2A
SCHEMBL4755224 0.88 DHFR (0.52) DHFRKMT2AMEN1
SCHEMBL4755401 0.86 DHFR (0.52) DHFR
SCHEMBL4753695 0.85 MAPT (0.50) DHFRKMT2A
SCHEMBL4753856 0.84 DHFR (0.48) DHFRKMT2A
SCHEMBL4755645 0.84 DHFR (0.53) DHFR
SCHEMBL4756448 0.84 DHFR (0.46) DHFR
SCHEMBL4753175 0.82 DHFR (0.46) DHFR
SCHEMBL4753837 0.81 DHFR (0.53) DHFR
SCHEMBL4753250 0.81 ALDH1A1 (0.56) KMT2AMEN1

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