SCHEMBL4755224

SCHEMBL4755224

COc1cc(OC(=O)c2ccc3nc(N)nc(N)c3c2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHFR P00374 9/20 0.52
SQSTM1 Q13501 1/20 0.50
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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 0.88 DHFR (0.50) DHFRMEN1KMT2A
SCHEMBL4753155 0.87 DHFR (0.48) DHFRSQSTM1
SCHEMBL4753235 0.85 KMT2A (0.52) DHFRKMT2A
SCHEMBL4753175 0.85 DHFR (0.46) DHFR
SCHEMBL4755401 0.81 DHFR (0.52) DHFR
SCHEMBL4753250 0.81 ALDH1A1 (0.56) MEN1KMT2A
SCHEMBL4755163 0.81 MEN1 (0.46) DHFRSQSTM1MEN1KMT2A
SCHEMBL4755097 0.81 TYMS (0.44) DHFRMEN1KMT2A
SCHEMBL4755431 0.81 HTT (0.44)
SCHEMBL4753695 0.81 MAPT (0.50) DHFRKMT2A

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