SCHEMBL4753250

SCHEMBL4753250

Nc1nc(N)c2cc(C(=O)Oc3ccccc3)ccc2n1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
DCPS Q96C86 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
SCHEMBL4755431 0.85 HTT (0.44)
SCHEMBL4755522 0.85 KMT2A (0.46) ALDH1A1MAPTMEN1KMT2A
SCHEMBL4753635 0.84 BCHE (0.44) ALDH1A1MAPTMEN1KMT2A
SCHEMBL4755444 0.84 ALDH1A1 (0.42) ALDH1A1MAPT
SCHEMBL4753332 0.83 KMT2A (0.52) ALDH1A1MAPTMEN1KMT2A
SCHEMBL4756577 0.83 MAPT (0.47) ALDH1A1MAPTMEN1KMT2A
SCHEMBL4755362 0.82 PRSS1 (0.40)
SCHEMBL4755176 0.82 MAPT (0.41) ALDH1A1MAPTKMT2A
SCHEMBL4755224 0.81 DHFR (0.52) MEN1KMT2A
SCHEMBL4756506 0.81 DHFR (0.50) MEN1KMT2A

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 1 patent. 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 disclosed