SCHEMBL4437150

SCHEMBL4437150

CC(=O)c1ccc(N2CCN(C(C)(C)C)CC2)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.56
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 3/20 0.51
POLB P06746 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
NPC1 O15118 4/20 0.50
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NR4A1 P22736 1/20 0.50
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PRMT1 Q99873 1/20 0.43
SLC6A5 Q9Y345 1/20 0.42
PRKCI P41743 1/20 0.42

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
SCHEMBL4436030 0.84 NPC1 (0.67) KDM4EHSD17B10ALDH1A1GAAPOLB
SCHEMBL29978999 0.82 KDM4E (0.74) KDM4EHSD17B10ALDH1A1GAAPOLB
SCHEMBL4437631 0.81 L3MBTL1 (0.53) KDM4EHSD17B10ALDH1A1GAAPOLB
SCHEMBL4436843 0.80 MEN1 (0.70) ALDH1A1GAAPOLBL3MBTL1TDP1
SCHEMBL17395881 0.79 NPC1 (0.68) KDM4EHSD17B10ALDH1A1GAAPOLB
SCHEMBL4442551 0.77 MAPT (0.46) KDM4EHSD17B10ALDH1A1GAAPOLB
SCHEMBL4433463 0.76 POLB (0.69) KDM4EHSD17B10ALDH1A1GAAPOLB
SCHEMBL16993915 0.76 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1GAAPOLB
SCHEMBL16993892 0.76 ALDH1A1 (0.69) KDM4EHSD17B10ALDH1A1GAAPOLB
SCHEMBL19291257 0.76 KDM4E (0.53) KDM4EHSD17B10ALDH1A1GAAPOLB

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-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed