SCHEMBL2496019

SCHEMBL2496019

N#CCCc1cccc2nc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM5A P29375 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PARP1 P09874 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PDPK1 O15530 1/20 0.32
CA12 O43570 1/20 0.32
ALOX15 P16050 1/20 0.32
CA9 Q16790 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CDC7 O00311 2/20 0.31
DBF4 Q9UBU7 2/20 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
SCHEMBL2498957 0.85 MEN1 (0.39) MEN1KMT2APARP1SMN1; SMN2PDPK1
SCHEMBL7856465 0.78 JAK2 (0.36) MEN1KMT2APARP1SMN1; SMN2PDPK1
SCHEMBL3068246 0.78 TAAR1 (0.41) PARP1SMN1; SMN2
SCHEMBL28278903 0.78 DAO (0.40) PARP1SMN1; SMN2PDPK1CA12ALOX15
SCHEMBL7856331 0.75 ADORA3 (0.40) MEN1KMT2A
SCHEMBL7576846 0.74 LOXL2 (0.44) MEN1KMT2APARP1SMN1; SMN2PDPK1
SCHEMBL7346990 0.74 PARP1 (0.43) MEN1KMT2APARP1SMN1; SMN2PDPK1
SCHEMBL2501354 0.74 PARP1 (0.40) MEN1KMT2APARP1SMN1; SMN2PDPK1
SCHEMBL27457721 0.74 PARP1 (0.40) MEN1KMT2APARP1SMN1; SMN2PDPK1
SCHEMBL1647059 0.74 PARP1 (0.36) MEN1KMT2APARP1SMN1; SMN2PDPK1

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
EP-2373628-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2011-10-12 EP disclosed
WO-2010070021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2010-06-24 WO disclosed