SCHEMBL4753631

SCHEMBL4753631

CSc1cccc(C(=O)Oc2ccc3nc(N)nc(N)c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
DHFR P00374 2/20 0.41
MEN1 O00255 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL4755522 0.85 KMT2A (0.46) KMT2AMAPTKDM4ELMNAPKM
SCHEMBL4753605 0.79 MAPT (0.44) KMT2AMAPTKDM4ELMNAPKM
SCHEMBL4753250 0.77 ALDH1A1 (0.56) KMT2AMAPTMEN1
SCHEMBL4753635 0.76 BCHE (0.44) KMT2AMAPTDHFRMEN1
SCHEMBL4756506 0.75 DHFR (0.50) KMT2ADHFRMEN1
SCHEMBL4756448 0.75 DHFR (0.46) DHFR
SCHEMBL4756577 0.74 MAPT (0.47) KMT2AMAPTKDM4EDHFRMEN1
SCHEMBL4755176 0.73 MAPT (0.41) KMT2AMAPTKDM4ELMNAPKM
SCHEMBL4756472 0.73 KMT2A (0.54) KMT2AMAPTNPSR1DHFRMEN1
SCHEMBL4755163 0.72 MEN1 (0.46) KMT2AMAPTDHFRMEN1

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