SCHEMBL1921690

SCHEMBL1921690

CC(C)(C)OC(=O)Oc1ccc2c(Cc3ccccc3)n(-c3ccncc3)nc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
SLC5A1 P13866 1/20 0.34
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
CA2 P00918 1/20 0.34
SLC16A3 O15427 1/20 0.34
SLC16A1 P53985 1/20 0.34
KHK P50053 5/20 0.33
CYP17A1 P05093 1/20 0.33
ABHD6 Q9BV23 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK8 P49336 1/20 0.32
NEK2 P51955 1/20 0.32
LIMK1 P53667 1/20 0.32
CDK5 Q00535 1/20 0.32
DYRK1A Q13627 1/20 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
SCHEMBL1920882 0.94 ELANE (0.37) ELANESLC5A1MAPK13MAPK12MAPK11
SCHEMBL1921845 0.83 ELANE (0.34) ELANESLC5A1MAPK13MAPK14CA2
SCHEMBL1921659 0.80 KCNJ6 (0.36) ELANESLC5A1CA2KHKCHEK1
SCHEMBL1920962 0.77 CHEK1 (0.43) KHKCHEK1AURKACSNK1A1CDK8
SCHEMBL1921521 0.74 ALDH1A1 (0.44) PLA2G2A
SCHEMBL1922920 0.72 MPO (0.42) ELANEKHK
SCHEMBL1921731 0.71 PLA2G2A (0.40) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL8990079 0.70 ELANE (0.58) ELANECA2PLA2G2A
SCHEMBL1921320 0.66 ALDH1A1 (0.54)
SCHEMBL13984750 0.66 CDK8 (0.38) KHKCHEK1AURKACSNK1A1CDK8

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