SCHEMBL4756472

SCHEMBL4756472

COc1ccccc1C(=O)Oc1ccc2nc(N)nc(N)c2c1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
ESR1 P03372 1/20 0.54
DHFR P00374 4/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 1/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL4753837 0.88 DHFR (0.53) DHFR
SCHEMBL4754937 0.87 MAPT (0.48) DHFRMAPT
SCHEMBL4754986 0.87 ALDH1A1 (0.49) KMT2ADHFR
SCHEMBL4753605 0.83 MAPT (0.44) KMT2AMAPTNPSR1
SCHEMBL4756415 0.83 KDM4E (0.45) KMT2AMAPTNPSR1
SCHEMBL4756448 0.81 DHFR (0.46) DHFR
SCHEMBL4754944 0.80 DHFR (0.44) DHFR
SCHEMBL4756506 0.79 DHFR (0.50) KMT2AMEN1DHFR
SCHEMBL4755163 0.79 MEN1 (0.46) KMT2AMEN1DHFRMAPT
SCHEMBL4753726 0.78 SMN1; SMN2 (0.45) KMT2AMEN1DHFRMAPT

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