SCHEMBL28048800

SCHEMBL28048800

O=COc1ccc2c(cnn2C(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
SHMT2 P34897 2/20 0.38
RAB9A P51151 2/20 0.38
HSP90AB1 P08238 1/20 0.36
SLC22A12 Q96S37 2/20 0.36
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 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
SCHEMBL27664801 0.81 EGFR (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL31731242 0.77 CCNC (0.41) RAB9ANPC1MAPTALDH1A1HPGD
SCHEMBL15968896 0.77 CHEK1 (0.45) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL31691580 0.74 CHEK1 (0.49) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL25857591 0.73 ACLY (0.39) CBFBCDK8
SCHEMBL878217 0.73 CHEK1 (0.73) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL952561 0.73 CHEK1 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3638105 0.73 CHEK1 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL28048782 0.73 TUBB1 (0.43) RAB9AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27810215 0.71 CHEK1 (0.40) CHEK1AURKADAPK3CSNK1A1GSK3A

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-105188696-A Gamma-diketones as WNT/beta -catenin signaling pathway activators SAMUMED LLC 2015-12-23 CN disclosed