SCHEMBL4753695

SCHEMBL4753695

COc1cc(C(C)=O)ccc1OC(=O)c1ccc2nc(N)nc(N)c2c1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
DHFR P00374 5/20 0.49
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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 0.89 KMT2A (0.52) DHFRKMT2A
SCHEMBL4753856 0.88 DHFR (0.48) MAPTDHFRKMT2AALDH1A1
SCHEMBL4755645 0.88 DHFR (0.53) MAPTDHFR
SCHEMBL4755401 0.85 DHFR (0.52) MAPTDHFR
SCHEMBL4756506 0.85 DHFR (0.50) DHFRKMT2A
SCHEMBL29010947 0.83 DHFR (0.59) DHFR
SCHEMBL4753155 0.82 DHFR (0.48) DHFR
SCHEMBL4753175 0.81 DHFR (0.46) DHFR
SCHEMBL4755224 0.81 DHFR (0.52) DHFRKMT2A
SCHEMBL6745912 0.80 DHFR (0.59) 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