SCHEMBL1920882

SCHEMBL1920882

CC(C)(C)OC(=O)Oc1ccc2c(Cc3ccccc3)n(-c3ccccc3)nc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
CHEK1 O14757 1/20 0.37
AURKA O14965 1/20 0.37
CSNK1A1 P48729 1/20 0.37
CDK8 P49336 1/20 0.37
NEK2 P51955 1/20 0.37
LIMK1 P53667 1/20 0.37
CDK5 Q00535 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
CA2 P00918 1/20 0.36
SLC5A1 P13866 1/20 0.36
POLB P06746 1/20 0.35
MDM2 Q00987 3/20 0.35
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 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
SCHEMBL1921690 0.94 ELANE (0.34) ELANECHEK1AURKACSNK1A1CDK8
SCHEMBL1921659 0.85 KCNJ6 (0.36) ELANECHEK1AURKACSNK1A1CDK8
SCHEMBL1920560 0.83 TLR7 (0.42) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL1921521 0.80 ALDH1A1 (0.44) POLBNPC1LMNARAB9ASMN1; SMN2
SCHEMBL1921462 0.79 HPGD (0.35) ELANECA2POLBNPC1LMNA
SCHEMBL1922389 0.78 ABCG2 (0.41) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL1921731 0.77 PLA2G2A (0.40) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL1921845 0.76 ELANE (0.34) ELANECA2SLC5A1MAPK13MAPK14
SCHEMBL1921363 0.75 CHEK1 (0.50) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL8990079 0.73 ELANE (0.58) ELANECA2LMNAPLA2G2A

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-2170833-B1 A TRANSITION METAL CATALYZED SYNTHESIS OF 2H-INDAZOLES SANOFI AVENTIS (FR) 2011-06-01 EP claimed