SCHEMBL4766148

SCHEMBL4766148

Cc1nc(-c2ccccc2)c(-c2ccccn2)[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
HPGD P15428 2/20 0.67
MAPK13 O15264 3/20 0.49
RAF1 P04049 3/20 0.49
MAPK9 P45984 3/20 0.49
MAPK12 P53778 3/20 0.49
MAPK11 Q15759 3/20 0.49
MAPK14 Q16539 3/20 0.49
TGFBR1 P36897 3/20 0.48
LMNA P02545 3/20 0.44
HIF1A Q16665 2/20 0.44
HTT P42858 1/20 0.44
MITF O75030 1/20 0.44
NPY5R Q15761 1/20 0.44
NPC1 O15118 2/20 0.44
TGFBR2 P37173 1/20 0.43
RAB9A P51151 1/20 0.43
MAT2A P31153 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1068923 0.81 KDM4E (1.00) KDM4ESMN1; SMN2HPGDMAPK13RAF1
SCHEMBL4766017 0.80 KDM4E (0.46) KDM4ESMN1; SMN2HPGDLMNAHIF1A
SCHEMBL26456444 0.79 NPY5R (0.51) KDM4ESMN1; SMN2HPGDMAPK13MAPK12
SCHEMBL38662232 0.78 TGFBR1 (0.49) KDM4ESMN1; SMN2HPGDMAPK13RAF1
SCHEMBL25302190 0.78 SYK (0.44) KDM4ESMN1; SMN2HPGDMAPK13MAPK12
SCHEMBL38664205 0.77 MAPK13 (0.46) KDM4ESMN1; SMN2HPGDMAPK13RAF1
SCHEMBL6757498 0.77 KDM4E (0.49) KDM4ESMN1; SMN2HPGDTGFBR1LMNA
SCHEMBL38661053 0.77 KDM4E (0.49) KDM4ESMN1; SMN2HPGDMAPK13RAF1
SCHEMBL1387860 0.77 KDM4E (0.83) KDM4ESMN1; SMN2HPGDMAPK13RAF1
SCHEMBL18292652 0.75 MAPK14 (0.61) SMN1; SMN2MAPK13RAF1MAPK9MAPK12

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122212-A1 TGF-BETA PATHWAY INHIBITORS FOR ENHANCEMENT OF CELLULAR REPROGRAMMING OF HUMAN CELLS IPIERIAN, INC. 2012-05-17 US disclosed