SCHEMBL30668641

SCHEMBL30668641

COC(=O)c1n[nH]c2cc(-c3cnn(C)c3)ccc12

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.57
GSK3B P49841 14/20 0.55
DYRK1A Q13627 14/20 0.55
AXL P30530 3/20 0.55
KDM4E B2RXH2 1/20 0.51
STAT3 P40763 1/20 0.51
HIF1A Q16665 1/20 0.51
HAT1 O14929 1/20 0.51
EP300 Q09472 1/20 0.51

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
SCHEMBL18115988 1.00 USP30 (0.57) USP30GSK3BDYRK1AAXLKDM4E
SCHEMBL16532592 0.79 MAPT (0.49) GSK3BDYRK1AKDM4ESTAT3HIF1A
SCHEMBL19998606 0.77 AXL (0.65) USP30GSK3BDYRK1AAXL
SCHEMBL28369895 0.77 AXL (0.65) GSK3BDYRK1AAXL
SCHEMBL30269963 0.77 AXL (0.65) GSK3BDYRK1AAXL
SCHEMBL16516847 0.77 GSK3B (0.53) GSK3BDYRK1A
SCHEMBL3387378 0.76 PDPK1 (0.60) GSK3BDYRK1AKDM4ESTAT3HIF1A
SCHEMBL26119042 0.75 TTK (0.47)
SCHEMBL12788089 0.74 KDM4E (0.65) KDM4ESTAT3HIF1A
SCHEMBL18115925 0.74 USP30 (1.00) USP30GSK3BDYRK1A

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-112707893-B 1-cyanopyrrolidine compounds as USP30 inhibitors 特殊治疗有限公司 2023-10-31 CN disclosed