SCHEMBL30002016

SCHEMBL30002016

CCc1ccc2c(c1)c(=O)c(C(N)=O)c(C)n2C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 13/20 0.52
HSD17B10 Q99714 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
AURKA O14965 2/20 0.44
DDR1 Q08345 2/20 0.44
AURKB Q96GD4 2/20 0.44
STK10 O94804 1/20 0.44
NTRK1 P04629 1/20 0.44
MET P08581 1/20 0.44
KIT P10721 1/20 0.44
CDK11B P21127 1/20 0.44
FLT3 P36888 1/20 0.44
BLK P51451 1/20 0.44
TYRO3 Q06418 1/20 0.44
MERTK Q12866 1/20 0.44
MAP2K5 Q13163 1/20 0.44
NTRK2 Q16620 1/20 0.44
DDR2 Q16832 1/20 0.44
HIPK4 Q8NE63 1/20 0.44
SLK Q9H2G2 1/20 0.44

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
SCHEMBL18548855 0.88 HSD17B10 (0.47) AXLHSD17B10SMN1; SMN2AURKADDR1
SCHEMBL18549350 0.85 ALDH1A1 (0.57) AXLHSD17B10SMN1; SMN2KDM4EALDH1A1
SCHEMBL10085033 0.83 MAPT (0.47) AXLHSD17B10SMN1; SMN2KDM4EALDH1A1
SCHEMBL24737265 0.80 PGR (0.43) AXLHSD17B10AURKADDR1AURKB
SCHEMBL30001575 0.77 SMN1; SMN2 (0.48) AXLHSD17B10SMN1; SMN2ALDH1A1HPGD
SCHEMBL30002195 0.77 KDM4E (0.61) HSD17B10NTRK1KDM4EALDH1A1HPGD
SCHEMBL20308897 0.75 MEN1 (0.47) AXLHSD17B10AURKADDR1AURKB
SCHEMBL18550514 0.75 AXL (0.41) AXLHSD17B10SMN1; SMN2AURKADDR1
SCHEMBL10086142 0.73 ALDH1A1 (0.58) HSD17B10SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9308627 0.73 TTR (0.41) HSD17B10KDM4EALDH1A1HPGDMAPT

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-2022253283-A1 PROTEIN KINASE DEGRADANT AND USE THEREOF 中国科学院上海有机化学研究所 2022-12-08 WO disclosed