SCHEMBL2475243

SCHEMBL2475243

COc1cc(/C=N/O)nc2c1c(F)cc1cccnc12.COc1cc2cccnc2c2nc(/C=N/O)cc(SC)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.37
MAPT P10636 5/20 0.34
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
PDGFRB P09619 1/20 0.33
PDGFRA P16234 1/20 0.33
NFKBIA P25963 1/20 0.32
RELA Q04206 1/20 0.32
HTR1A P08908 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32
DYRK1A Q13627 1/20 0.31
TRPM5 Q9NZQ8 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
APEX1 P27695 1/20 0.31

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
SCHEMBL2475246 1.00 HSP90AA1 (0.37) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL2472508 0.93 HSP90AA1 (0.41) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL2472506 0.93 HSP90AA1 (0.41) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL13372717 0.93 HSP90AA1 (0.41) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL3455915 0.91 HSP90AA1 (0.43) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL2475249 0.91 HSP90AA1 (0.43) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL13372720 0.91 HSP90AA1 (0.43) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1
SCHEMBL2472275 0.81
SCHEMBL2472013 0.80
SCHEMBL13372702 0.79 CCR1 (0.43) HSP90AA1MAPTKDM4ESMN1; SMN2MEN1

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-2373650-B1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA SA (ES) 2012-10-24 EP claimed
EP-2373650-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER Noscira, S.A. (ES) 2011-10-12 EP claimed
WO-2010066832-A1 TRIPLE SUBSTITUTED PHENANTHROLINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE OR HAEMATOLOGICAL DISEASES OR CONDITIONS, OR CANCER NOSCIRA, S.A. (ES) 2010-06-17 WO claimed