SCHEMBL4753605

SCHEMBL4753605

CSc1ccccc1C(=O)Oc1ccc2nc(N)nc(N)c2c1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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 0.83 KMT2A (0.54) MAPTKMT2ANPSR1
SCHEMBL4756415 0.82 KDM4E (0.45) MAPTKDM4ELMNAPKMMAPK1
SCHEMBL4753631 0.79 KMT2A (0.43) MAPTKDM4ELMNAPKMMAPK1
SCHEMBL4753837 0.76 DHFR (0.53)
SCHEMBL4754937 0.75 MAPT (0.48) MAPT
SCHEMBL4754986 0.75 ALDH1A1 (0.49) KMT2A
SCHEMBL4755522 0.74 KMT2A (0.46) MAPTKDM4ELMNAPKMMAPK1
SCHEMBL11774942 0.74 ALDH1A1 (0.50) KDM4ELMNAKMT2A
SCHEMBL4753632 0.74 DHFR (0.43) MAPTKDM4ELMNAPKMMAPK1
SCHEMBL4753250 0.73 ALDH1A1 (0.56) MAPTKMT2A

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