SCHEMBL8253259

SCHEMBL8253259

COC(=O)c1cc(C)nc2c(C(N)=O)nnn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.37
AURKA O14965 1/20 0.36
CSF1R P07333 1/20 0.36
RET P07949 1/20 0.36
LTK P29376 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
CLK2 P49760 1/20 0.36
CDK5 Q00535 1/20 0.36
ACVR1 Q04771 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 8/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL8247376 0.84 TP53 (0.36) KDM4EKMT2AGAAMEN1TDP1
SCHEMBL8256933 0.82 KDM4E (0.41) KDM4EKMT2AMAPTMEN1TDP1
SCHEMBL8247720 0.81 ALDH1A1 (0.40) KDM4EKMT2AMAPTGAAMEN1
SCHEMBL8254302 0.76 TYK2 (0.51) KDM4EKMT2AMAPTGAAL3MBTL1
SCHEMBL8247377 0.76 KMT2A (0.44) KDM4EKMT2AMAPTAURKACSF1R
SCHEMBL8253069 0.72 KDM4E (0.44) KDM4EKMT2AMAPTTDP1L3MBTL1
SCHEMBL8246395 0.72 ALDH1A1 (0.46) KDM4EKMT2AAURKACSF1RRET
SCHEMBL8255673 0.72 MEN1 (0.33) KMT2AMEN1TDP1
SCHEMBL10164346 0.71 HSD17B10 (0.46) KDM4EKMT2AMEN1L3MBTL1ALDH1A1
SCHEMBL351286 0.70 F2 (0.40) KDM4EKMT2AMAPTAURKACSF1R

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-2006128184-A2 PYRIMIDINE OR TRIAZINE FUSED BICYCLIC METALLOPROTEASE INHIBITORS ALANTOS-PHARMACEUTICALS, INC. (US) 2006-11-30 WO disclosed