SCHEMBL28449563

SCHEMBL28449563

Nc1ccc2c(cnn2-c2ccncn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 8/20 0.43
CHEK1 O14757 1/20 0.42
AURKA O14965 1/20 0.42
DAPK3 O43293 1/20 0.42
CSNK1A1 P48729 1/20 0.42
GSK3A P49840 1/20 0.42
LIMK1 P53667 1/20 0.42
IKBKE Q14164 1/20 0.42
MAPK14 Q16539 1/20 0.42
TAOK1 Q7L7X3 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
EGFR P00533 2/20 0.41
MAPT P10636 1/20 0.40
PIM3 Q86V86 1/20 0.37
CYP11B2 P19099 2/20 0.37
LRRK2 Q5S007 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
CDC7 O00311 1/20 0.35

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
SCHEMBL28201492 0.78 MKNK1 (0.52) IRAK4CYP11B2LRRK2MKNK1MKNK2
SCHEMBL25269630 0.78 CYP11B2 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL29695764 0.78 CHEK1 (0.41) IRAK4CHEK1AURKADAPK3CSNK1A1
SCHEMBL30204846 0.78 PIM3 (0.41) PIM3
SCHEMBL1701230 0.77 CHEK1 (0.46) IRAK4CHEK1AURKADAPK3CSNK1A1
SCHEMBL11998910 0.73 LRRK2 (0.43) IRAK4MAPTLRRK2MKNK1MKNK2
SCHEMBL13836976 0.73 CHEK1 (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL6087069 0.71 HSP90AA1 (0.41) MAPTLRRK2CDC7HSP90AA1
SCHEMBL21295429 0.70 NR3C1 (0.54) IRAK4CHEK1AURKADAPK3CSNK1A1
SCHEMBL30127430 0.70 NR3C1 (0.54) IRAK4CHEK1AURKADAPK3CSNK1A1

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
CN-111587112-A Rho-related inhibitors of coiled coil protein kinase 卡德门企业有限公司 2020-08-25 CN disclosed