SCHEMBL1921349

SCHEMBL1921349

O=C(O)c1ccc2c(CC3CCCC3)n(-c3ccccc3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
AURKA O14965 1/20 0.45
CSNK1A1 P48729 1/20 0.45
CDK8 P49336 1/20 0.45
NEK2 P51955 1/20 0.45
LIMK1 P53667 1/20 0.45
CDK5 Q00535 1/20 0.45
DYRK1A Q13627 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
HSD17B10 Q99714 2/20 0.42
GAA P10253 1/20 0.42
PPM1D O15297 1/20 0.41
PTGER4 P35408 3/20 0.40
KHK P50053 3/20 0.40
HCAR3 P49019 2/20 0.39
FGFR1 P11362 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
PKM P14618 2/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL1923158 0.95 CHEK1 (0.47) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL1921732 0.86 CSNK2A2 (0.39) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL12533937 0.85 NPC1 (0.44) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL1921322 0.85 ALDH1A1 (0.39) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL1921407 0.81 KCNJ6 (0.39) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16499092 0.80 CHEK1 (0.48) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL1921363 0.79 CHEK1 (0.50) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL16498257 0.79 CHEK1 (0.47) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL17129942 0.73 CHEK1 (0.62) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL1920962 0.73 CHEK1 (0.43) 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