SCHEMBL4420775

SCHEMBL4420775

Cn1nc(C(C)(C)C(=O)O)cc1N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.46
GRN P28799 2/20 0.46
SORT1 Q99523 2/20 0.46
MAPK14 Q16539 7/20 0.34
MAPT P10636 3/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 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
SCHEMBL1521660 0.78 ALDH1A1 (0.40) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL432964 0.77 KDM4E (0.50) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL4415838 0.76 CYP1A2 (0.53) KDM4EGRNSORT1MAPK14MAPT
SCHEMBL1257733 0.73 KDM4E (0.36) KDM4EGRNSORT1MAPK14
SCHEMBL574076 0.71 RAB9A (0.42) KDM4EALDH1A1LMNANPC1RAB9A
SCHEMBL16055493 0.70 KDM4E (0.34) KDM4EGRNSORT1NPC1RAB9A
SCHEMBL5879683 0.69 KDM4E (0.39) KDM4EGRNSORT1ALDH1A1PKM
SCHEMBL4424874 0.69 LRRK2 (0.41) KDM4EGRNSORT1
SCHEMBL15942241 0.66 PLA2G10 (0.49) KDM4EMAPTALDH1A1LMNAPIM3
SCHEMBL12011404 0.66 BAZ2B (0.39) KDM4EGRNSORT1MAPTALDH1A1

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-2063896-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
WO-2008033999-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-03-20 WO disclosed