SCHEMBL8043519

SCHEMBL8043519

CC(C)OC(=O)NCCNc1nc(N)c(C#N)s1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 6/20 0.38
GSK3B P49841 3/20 0.37
LMNA P02545 4/20 0.34
KDM4E B2RXH2 4/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CLK2 P49760 1/20 0.32
GSK3A P49840 1/20 0.32
CDK9 P50750 1/20 0.32
LIMK1 P53667 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
HPGD P15428 2/20 0.32

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
SCHEMBL7991074 0.83 BCHE (0.43) SMN1; SMN2ALDH1A1GSK3BMEN1KMT2A
Hydrochloric Acid SCHEMBL1514013 0.70 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1GSK3BKDM4ECCNA2
SCHEMBL12680401 0.62 BCHE (0.43) SMN1; SMN2GSK3BLMNAMAPTRAB9A
SCHEMBL13526011 0.62 ALOX15 (0.46) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL19982874 0.61 MAPK1 (0.44) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL422850 0.61 ALOX15 (0.41) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL13525921 0.61 ALOX15 (0.41) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT
SCHEMBL28848845 0.61 ALOX15 (0.41) SMN1; SMN2LMNAKDM4EMAPTRAB9A
SCHEMBL27749673 0.61 CTSK (0.54) TSHR
SCHEMBL13525916 0.60 ALOX15 (0.39) SMN1; SMN2ALDH1A1LMNAKDM4EMAPT

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-2009074259-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed