SCHEMBL16499092

SCHEMBL16499092

O=C(O)c1ccc2c(C3CCCC3)n(-c3ccccc3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
AURKA O14965 1/20 0.48
CSNK1A1 P48729 1/20 0.48
CDK8 P49336 1/20 0.48
NEK2 P51955 1/20 0.48
LIMK1 P53667 1/20 0.48
CDK5 Q00535 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
KMO O15229 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
PKM P14618 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCAR3 P49019 3/20 0.41
HSD17B10 Q99714 2/20 0.41

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
SCHEMBL16498257 0.99 CHEK1 (0.47) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16498540 0.89 CHEK1 (0.45) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16498500 0.89 KMO (0.42) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16498955 0.86 KDM4E (0.42) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16498513 0.85 TP53 (0.46) LMNATP53HSD17B10GAAHSD11B1
SCHEMBL16498122 0.85 POLB (0.47) SMN1; SMN2POLB
SCHEMBL16512387 0.84 KMO (0.42) KMORAB9ANPC1PKMHCAR3
SCHEMBL16498417 0.82 KDM4E (0.46) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16498519 0.81 SCN9A (0.40) RAB9ANPC1PKMLMNATP53
SCHEMBL16498860 0.81 DGAT2 (0.40) 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
WO-2011153588-A1 VIRAL POLYMERASE INHIBITORS BIOTA SCIENTIFIC MANAGEMENT PTY LTD (AU) 2011-12-15 WO claimed