SCHEMBL4754986

SCHEMBL4754986

COc1cc(N)ccc1C(=O)Oc1ccc2nc(N)nc(N)c2c1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
DHFR P00374 7/20 0.44
KMT2A Q03164 1/20 0.43

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
SCHEMBL4756472 0.87 KMT2A (0.54) DHFRKMT2A
SCHEMBL4753837 0.85 DHFR (0.53) DHFR
SCHEMBL4754937 0.84 MAPT (0.48) DHFR
SCHEMBL4756448 0.81 DHFR (0.46) DHFR
SCHEMBL4756506 0.78 DHFR (0.50) DHFRKMT2A
SCHEMBL4755401 0.78 DHFR (0.52) DHFR
SCHEMBL4755163 0.78 MEN1 (0.46) DHFRKMT2A
SCHEMBL4754944 0.77 DHFR (0.44) DHFR
SCHEMBL4753726 0.77 SMN1; SMN2 (0.45) DHFRKMT2A
SCHEMBL4753605 0.75 MAPT (0.44) KMT2A

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 2 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