SCHEMBL4753607

SCHEMBL4753607

CSc1c(C(=O)O)cccc1-c1ccc2nc(N)nc(N)c2c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 10/20 0.45
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
MCL1 Q07820 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSP90AA1 P07900 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
SCHEMBL4756382 0.84 DHFR (0.52) DHFRHSP90AA1
SCHEMBL4753632 0.81 DHFR (0.43) DHFRKDM4ELMNAMAPTPKM
SCHEMBL4756475 0.81 DHFR (0.49) DHFR
SCHEMBL4755674 0.81 DHFR (0.45) DHFRKDM4EMAPTMAPK1HSP90AA1
SCHEMBL4753592 0.72 DHFR (0.47) DHFR
SCHEMBL4753839 0.72 DHFR (0.50) DHFR
SCHEMBL4753627 0.69 ALOX5AP (0.38) DHFR
SCHEMBL4753151 0.69 ALOX5AP (0.42) DHFRKDM4E
SCHEMBL4753630 0.68 LCK (0.47)
SCHEMBL30786197 0.68 SMN1; SMN2 (0.55) KDM4E

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