SCHEMBL28627403

SCHEMBL28627403

CC(CNc1ccc(-c2cccnc2)cn1)COC(N)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 3/20 0.56
GPR55 Q9Y2T6 4/20 0.45
ABCB1 P08183 2/20 0.44
ABCC1 P33527 2/20 0.44
SYK P43405 1/20 0.42
MKNK1 Q9BUB5 4/20 0.42
MKNK2 Q9HBH9 4/20 0.42
WNT3A P56704 1/20 0.41
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.41
CYP2D6 P10635 1/20 0.41
PORCN Q9H237 1/20 0.41
DEGS1 O15121 1/20 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
SCHEMBL29775904 0.81 PCSK9 (0.65) PCSK9GPR55ABCB1ABCC1SYK
SCHEMBL22230065 0.81 PCSK9 (0.62) PCSK9GPR55ABCB1ABCC1MKNK1
SCHEMBL28635345 0.79 HCAR3 (0.43) ATM
SCHEMBL28622479 0.78 FDPS (0.49) PCSK9CYP2D6
SCHEMBL22241655 0.78 PCSK9 (0.56) PCSK9GPR55ABCB1ABCC1WNT3A
SCHEMBL22229998 0.78 GPR35 (0.40) PCSK9
SCHEMBL28631661 0.78 PCSK9 (0.58) PCSK9SYK
SCHEMBL29775946 0.78 PCSK9 (0.56) PCSK9GPR55ABCB1ABCC1WNT3A
SCHEMBL22406228 0.75 PCSK9 (0.53) PCSK9GPR55ABCB1ABCC1SYK
SCHEMBL28617445 0.75 F10 (0.41) PCSK9KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113574055-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-10-29 CN disclosed
CN-113412258-A PCSK9 inhibitors and methods of use thereof 阿斯利康(瑞典)有限公司 2021-09-17 CN disclosed