SCHEMBL994183

SCHEMBL994183

NC(=O)C1CN(Cc2ccccn2)C1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
SIRT1 Q96EB6 1/20 0.56
KDM4E B2RXH2 6/20 0.51
ALDH1A1 P00352 5/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 1/20 0.49
OPRM1 P35372 1/20 0.48
POLB P06746 1/20 0.48
CYP2D6 P10635 1/20 0.48
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL30370085 0.86 L3MBTL1 (0.72) L3MBTL1KDM4EALDH1A1NPSR1CYP2C19
SCHEMBL13905827 0.86 L3MBTL1 (0.72) L3MBTL1KDM4EALDH1A1NPSR1CYP2C19
SCHEMBL4387098 0.85 L3MBTL1 (0.75) L3MBTL1KDM4EALDH1A1NPSR1CYP2C19
Hydrochloric Acid SCHEMBL27515725 0.84 L3MBTL1 (0.78) L3MBTL1KDM4EALDH1A1NPSR1CYP2C19
SCHEMBL21061629 0.78 L3MBTL1 (0.82) L3MBTL1KDM4EALDH1A1NPSR1CYP2C19
SCHEMBL21061969 0.78 L3MBTL1 (0.82) L3MBTL1KDM4EALDH1A1NPSR1CYP2C19
SCHEMBL5841484 0.78 L3MBTL1 (0.54) L3MBTL1SIRT1KDM4ECYP2C19KMT2A
SCHEMBL21061923 0.77 L3MBTL1 (0.63) L3MBTL1KDM4EALDH1A1CYP2C19SMN1; SMN2
SCHEMBL29500889 0.77 L3MBTL1 (0.63) L3MBTL1KDM4EALDH1A1CYP2C19SMN1; SMN2
SCHEMBL21061948 0.77 L3MBTL1 (0.63) L3MBTL1KDM4EALDH1A1CYP2C19SMN1; SMN2

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-2454257-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES Abbott Laboratories (US) 2012-05-23 EP disclosed
WO-2011008915-A1 PYRROLOPYRIDINE INHIBITORS OF KINASES ABBOTT LABORATORIES (US) 2011-01-20 WO disclosed