SCHEMBL1921659

SCHEMBL1921659

CC(C)(C)OC(=O)Oc1ccc2c(CC3CC3)n(-c3ccccc3)nc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNJ6 P48051 6/20 0.36
KCNJ5 P48544 6/20 0.36
KCNJ3 P48549 6/20 0.36
ACACB O00763 2/20 0.35
ACACA Q13085 1/20 0.35
ELANE P08246 1/20 0.35
CHEK1 O14757 1/20 0.35
AURKA O14965 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CDK8 P49336 1/20 0.35
NEK2 P51955 1/20 0.35
LIMK1 P53667 1/20 0.35
CDK5 Q00535 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
SLC5A1 P13866 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 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
SCHEMBL1921845 0.91 ELANE (0.34) ACACBACACAELANESLC5A1CA2
SCHEMBL1920882 0.85 ELANE (0.37) ELANECHEK1AURKACSNK1A1CDK8
SCHEMBL1921407 0.84 KCNJ6 (0.39) KCNJ6KCNJ5KCNJ3ACACBACACA
SCHEMBL1921322 0.80 ALDH1A1 (0.39) KCNJ6KCNJ5KCNJ3CHEK1AURKA
SCHEMBL1921690 0.80 ELANE (0.34) ELANECHEK1AURKACSNK1A1CDK8
SCHEMBL1923158 0.77 CHEK1 (0.47) KCNJ6KCNJ5KCNJ3CHEK1AURKA
SCHEMBL1921349 0.73 CHEK1 (0.45) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL12533937 0.71 NPC1 (0.44) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL1921732 0.68 CSNK2A2 (0.39) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL1920560 0.68 TLR7 (0.42) CHEK1AURKACSNK1A1CDK8NEK2

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