SCHEMBL3401196

SCHEMBL3401196

c1cc(NC2CCCCC2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
MAPT P10636 3/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 3/20 0.41
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
IP6K1 Q92551 1/20 0.38
HPGDS O60760 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
AR P10275 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
IDO1 P14902 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6534113 0.90
SCHEMBL29883407 0.81 ADORA2A (0.38) MAPK1POLB
SCHEMBL4613841 0.81 POLB (0.59) KDM4EPOLB
SCHEMBL4613663 0.81 ADORA2A (0.38) MAPK1POLB
SCHEMBL29884529 0.81 MAPK1 (0.42) MAPK1POLBLMNA
SCHEMBL4612918 0.81 POLB (0.39) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL28453456 0.80 PRKCZ (0.41)
SCHEMBL28453457 0.80 PRKCZ (0.41)
SCHEMBL30375268 0.79 KAT2B (0.47) POLB
SCHEMBL4611758 0.79 PDGFRB (0.36) POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed
EP-1910358-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS Astellas Pharma Inc. (JP) 2008-04-16 EP disclosed
WO-2007007919-A2 HETEROCYCLIC JANUS KINASE 3 INHIBITORS ASTELLAS PHARMA INC. (JP) 2007-01-18 WO disclosed