SCHEMBL5265906

SCHEMBL5265906

CCOC(=O)c1cncc(Cl)c1N1CCNCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.56
DYRK1A Q13627 4/20 0.54
ALDH1A1 P00352 2/20 0.47
USP2 O75604 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
PKM P14618 1/20 0.46
PDE4B Q07343 1/20 0.46
MAPK10 P53779 1/20 0.45
ADORA3 P0DMS8 1/20 0.42
MAPK13 O15264 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
MAPK14 Q16539 1/20 0.41
MAPT P10636 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL4296138 0.80 ADRB2 (0.68) ADRB2ALDH1A1MEN1KMT2A
Piperazine SCHEMBL5600493 0.79 ADRB2 (0.66) ADRB2ALDH1A1MEN1KMT2A
SCHEMBL14912336 0.75 TSHR (0.46) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL614362 0.74 ADRB2 (1.00) ADRB2ALDH1A1MEN1KMT2A
SCHEMBL3926411 0.74 OPRK1 (0.56) DYRK1AALDH1A1LMNAMEN1KMT2A
SCHEMBL3464205 0.73 MAPT (0.54) DYRK1AALDH1A1USP2MAPK1HTT
SCHEMBL1521876 0.73 KMT2A (0.48) ALDH1A1MAPK1HTTMEN1KMT2A
SCHEMBL13262173 0.72 PDE4B (0.51) DYRK1AALDH1A1USP2LMNAMAPK1
SCHEMBL118352 0.72 CHRNB2 (0.57) MAPK13MAPK12MAPK11MAPK14
SCHEMBL907963 0.72 P2RY12 (0.61)

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-1836189-A1 NOVEL PYRIDINE COMPOUNDS AstraZeneca AB (SE) 2007-09-26 EP disclosed
WO-2006073361-A1 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2006-07-13 WO disclosed