SCHEMBL12533693

SCHEMBL12533693

CNc1ccc(C(=O)NC2=Nc3ccccc3C3=NCCN23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.36
RAD52 P43351 1/20 0.36
UHRF1 Q96T88 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PTAFR P25105 3/20 0.36
KDM4E B2RXH2 2/20 0.35
POLB P06746 1/20 0.35
MCHR1 Q99705 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
SMARCA2 P51531 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1B Q00975 1/20 0.34
APBA1 Q02410 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
F10 P00742 1/20 0.34
GSK3B P49841 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
SCHEMBL87099 0.89 PTAFR (0.44) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86871 0.88 PIK3CB (0.46) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86842 0.87 MEN1 (0.39) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL87126 0.87 KCNK3 (0.43) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86725 0.87 MEN1 (0.41) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86942 0.86 NPC1 (0.44) PTAFRKDM4EMEN1KMT2AMAPT
SCHEMBL87360 0.86 TDP1 (0.44) DNMT1RAD52UHRF1PTAFRKDM4E
SCHEMBL87108 0.86 GAA (0.47) PTAFRKDM4EMEN1KMT2AMAPT
SCHEMBL86952 0.86 ABCG2 (0.41) DNMT1RAD52UHRF1PIK3CBPIK3CG
SCHEMBL86960 0.85 HCAR3 (0.40) DNMT1RAD52UHRF1PIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2042504-B1 Fused azole-pyrimidine derivatives BAYER SCHERING PHARMA AG (DE) 2011-06-01 EP disclosed