SCHEMBL4753635

SCHEMBL4753635

CN(C)c1cccc(OC(=O)c2ccc3nc(N)nc(N)c3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
CA2 P00918 1/20 0.42
CHEK2 O96017 1/20 0.42
DHFR P00374 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4753250 0.84 ALDH1A1 (0.56) ALDH1A1MAPTMEN1KMT2A
SCHEMBL4756577 0.81 MAPT (0.47) DHFRALDH1A1MAPTMEN1KMT2A
SCHEMBL4756506 0.77 DHFR (0.50) DHFRMEN1KMT2A
SCHEMBL4755431 0.76 HTT (0.44)
SCHEMBL4753175 0.76 DHFR (0.46) DHFR
SCHEMBL4755522 0.76 KMT2A (0.46) ALDH1A1MAPTMEN1KMT2A
SCHEMBL4753631 0.76 KMT2A (0.43) DHFRMAPTMEN1KMT2A
SCHEMBL4755444 0.75 ALDH1A1 (0.42) ALDH1A1MAPT
SCHEMBL13984040 0.75 DHFR (0.53) DHFRALDH1A1MAPT
SCHEMBL4755224 0.75 DHFR (0.52) DHFRMEN1KMT2A

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