SCHEMBL23625624

SCHEMBL23625624

N#Cc1ccc2nccc(I)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 5/20 0.48
CCNC P24863 3/20 0.48
GAK O14976 2/20 0.46
RIPK2 O43353 2/20 0.46
COQ8A Q8NI60 2/20 0.46
NLK Q9UBE8 2/20 0.46
SLC22A12 Q96S37 1/20 0.45
MAPKAPK2 P49137 2/20 0.41
PDE5A O76074 1/20 0.41
IRAK4 Q9NWZ3 4/20 0.40
MAP4K4 O95819 1/20 0.40
GSK3B P49841 2/20 0.39
KDR P35968 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
MTOR P42345 1/20 0.39
PRKDC P78527 1/20 0.39
KCNH2 Q12809 1/20 0.39
ATM Q13315 1/20 0.39
ATR Q13535 1/20 0.39

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
SCHEMBL633785 0.82 CDK8 (0.48) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL29843782 0.82 CDK8 (0.48) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL1147915 0.79 SLC22A12 (0.51) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL981901 0.79 CDK8 (0.51) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL16289814 0.79 CDK8 (0.48) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL730084 0.79 PDE5A (0.49) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL30369707 0.79 PDE5A (0.49) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL29843629 0.79 SLC22A12 (0.51) CDK8CCNCGAKRIPK2COQ8A
SCHEMBL3582506 0.79 NR4A2 (0.56) CDK8CCNCGAKRIPK2COQ8A
Hydrochloric Acid SCHEMBL983082 0.77 CDK8 (0.50) CDK8CCNCGAKRIPK2COQ8A

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-2021135516-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC APPARATUS 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed