SCHEMBL6447653

SCHEMBL6447653

Cc1ccc(Cl)c2nc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 4/20 0.41
DYRK1A Q13627 3/20 0.41
PARP1 P09874 3/20 0.41
AURKA O14965 2/20 0.41
DAPK3 O43293 2/20 0.41
PRKD3 O94806 2/20 0.41
MAP4K4 O95819 2/20 0.41
RET P07949 2/20 0.41
IGF1R P08069 2/20 0.41
PIM1 P11309 2/20 0.41
CLK2 P49760 2/20 0.41
GSK3A P49840 2/20 0.41
GSK3B P49841 2/20 0.41
PRKX P51817 2/20 0.41
BTK Q06187 2/20 0.41
TYRO3 Q06418 2/20 0.41
NTRK3 Q16288 2/20 0.41
TAOK1 Q7L7X3 2/20 0.41
CLK4 Q9HAZ1 2/20 0.41
ALK Q9UM73 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
SCHEMBL13184288 0.84 CSNK2A1 (0.41) CSNK2A1DYRK1APARP1AURKADAPK3
SCHEMBL197041 0.83 CSNK2A1 (0.47) CSNK2A1DYRK1APARP1AURKADAPK3
SCHEMBL4560164 0.83 PARP1 (0.46) CSNK2A1DYRK1APARP1ABL1HSD17B10
SCHEMBL6876629 0.78 PARP1 (0.42) CSNK2A1DYRK1APARP1ABL1LRRK2
SCHEMBL4612059 0.76 SLC6A2 (0.43) CSNK2A1DYRK1APARP1RAB9AHTT
SCHEMBL6950307 0.76 PARP1 (0.41) CSNK2A1DYRK1APARP1ABL1HSD17B10
SCHEMBL20200208 0.72 CSNK2A1 (0.41) CSNK2A1DYRK1APARP1AURKADAPK3
SCHEMBL1355302 0.71 PDPK1 (0.38) PARP1HSD17B10PDPK1ALDH1A1CYP1A2
SCHEMBL18225451 0.71 KDM5A (0.59) CSNK2A1DYRK1APARP1AURKADAPK3
SCHEMBL18948981 0.71 BRD4 (0.46) PARP1LRRK2HSD17B10HTTSMN1; SMN2

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-2012065062-A1 NOVEL ANTIVIRAL COMPOUNDS PHARMARESOURCES(SHANGHAI)CO., LTD. (CN) 2012-05-18 WO disclosed