SCHEMBL17396261

SCHEMBL17396261

NC(=O)c1cn(C2CCNCC2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.45
KDM2B Q8NHM5 1/20 0.42
PIM1 P11309 4/20 0.41
PIM2 Q9P1W9 4/20 0.41
PIM3 Q86V86 2/20 0.41
PARP2 Q9UGN5 4/20 0.37
PARP1 P09874 3/20 0.37
KDM5A P29375 3/20 0.37
CPB2 Q96IY4 2/20 0.36
TTK P33981 1/20 0.36
PARP3 Q9Y6F1 2/20 0.36
GRM2 Q14416 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ADA P00813 1/20 0.34

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
SCHEMBL20497264 0.91 KDM2B (0.52) CPB1KDM2BPIM1PIM2PIM3
SCHEMBL30364250 0.89 KDM5A (0.43) CPB1KDM2BKDM5ACPB2ADA
SCHEMBL13406413 0.86 KDM2B (0.49) CPB1KDM2BPIM1PIM2KDM5A
SCHEMBL6504137 0.85 CPB2 (0.47) CPB1KDM5ACPB2MEN1KMT2A
SCHEMBL20497250 0.82 PIM1 (0.45) KDM2BPIM1PIM2PIM3PARP1
SCHEMBL20497248 0.82 PIM1 (0.45) KDM2BPIM1PIM2PIM3PARP1
SCHEMBL13406325 0.81 PLAT (0.45) CPB1KDM2BKDM5ACPB2MEN1
SCHEMBL19589410 0.79 KDM2B (0.49) CPB1KDM2BKDM5AALDH1A1KMT2A
SCHEMBL2821284 0.75 CPB1 (0.46) CPB1KDM2BPIM1MEN1ALDH1A1
SCHEMBL20497261 0.75 KDM2B (0.44) KDM2BPIM1PIM2PIM3PARP2

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-3164509-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Celgene Quanticel Research, Inc. (US) 2017-05-10 EP disclosed
WO-2016004105-A1 INHIBITORS OF LYSINE SPECIFIC DEMETHYLASE-1 Quanticel Pharmaceuticals, Inc. (US) 2016-01-07 WO disclosed