SCHEMBL14079331

SCHEMBL14079331

Nc1nc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cc3ncnn23)sc1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.44
EGLN2 Q96KS0 3/20 0.39
CLK1 P49759 1/20 0.36
HSP90AB1 P08238 3/20 0.35
HSP90AA1 P07900 2/20 0.35
LMNA P02545 1/20 0.34
AMY1A P0DUB6 1/20 0.34
DPP4 P27487 4/20 0.32
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 1/20 0.32
MGAM O43451 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31

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
SCHEMBL12680833 0.88 GSK3B (0.58) GSK3BEGLN2CLK1HSP90AB1HSP90AA1
SCHEMBL12680896 0.85 GSK3B (0.39) GSK3BEGLN2CLK1LMNARAB9A
SCHEMBL12680847 0.78 KDM4E (0.40) GSK3BEGLN2KDM4EMAPTLIMK1
SCHEMBL10270036 0.77 GSK3B (0.38) GSK3BLMNADPP4KDM4ERAB9A
SCHEMBL10270747 0.77 GSK3B (0.53) GSK3BEGLN2HSP90AB1HSP90AA1LMNA
SCHEMBL12680846 0.76 ALPL (0.37) GSK3BEGLN2DPP4CNR1
SCHEMBL3603974 0.75 EGLN2 (0.35) GSK3BEGLN2HSP90AB1HSP90AA1LMNA
SCHEMBL12680862 0.75 GSK3B (0.36) GSK3BEGLN2
SCHEMBL3608624 0.75 GSK3B (0.53) GSK3BEGLN2LIMK1
SCHEMBL10270549 0.73 GSK3B (0.47) GSK3BEGLN2CLK1HSP90AB1HSP90AA1

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
WO-2008113469-A2 SUBSTITUTED IMIDAZOPYRIMIDINES AND TRIAZOLOPYRIMIDINES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-09-25 WO disclosed