SCHEMBL4703131

SCHEMBL4703131

CSc1ncc(OC(=O)O)c(Nc2ncccc2N)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
NTRK1 P04629 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
SYK P43405 2/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 1/20 0.35
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MERTK Q12866 1/20 0.33
MET P08581 1/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33

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
SCHEMBL16694984 0.86 MAPT (0.43) KDM4EMAPTALDH1A1SMN1; SMN2SYK
SCHEMBL1775484 0.82 MAPT (0.42) KDM4ENTRK1MAPTALDH1A1SMN1; SMN2
SCHEMBL4703928 0.78 MAPT (0.39) KDM4ENTRK1MAPTALDH1A1SMN1; SMN2
SCHEMBL4704347 0.78 ALDH1A1 (0.39) KDM4ENTRK1MAPTALDH1A1SMN1; SMN2
SCHEMBL4701552 0.77 MAPT (0.38) KDM4ENTRK1MAPTALDH1A1SMN1; SMN2
SCHEMBL1774929 0.77 SYK (0.62) KDM4EMAPTALDH1A1SMN1; SMN2SYK
SCHEMBL4702538 0.77 EGFR (0.39) KDM4ENTRK1MAPTALDH1A1SMN1; SMN2
SCHEMBL4701575 0.77 MAPT (0.42) KDM4ENTRK1MAPTALDH1A1SMN1; SMN2
SCHEMBL4704376 0.76 KMT2A (0.48) KDM4EMAPTALDH1A1SMN1; SMN2HTT
SCHEMBL4699520 0.75 LMNA (0.46) KDM4EMAPTALDH1A1SMN1; SMN2SYK

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
EP-1966212-B1 DIAZEPINONES MERCK PATENT GMBH (DE) 2015-05-13 EP disclosed
EP-1966212-A1 DIAZEPINONES Merck Patent GmbH (DE) 2008-09-10 EP disclosed
WO-2007079826-A1 DIAZEPINONES MERCK PATENT GMBH (DE) 2007-07-19 WO disclosed