SCHEMBL29092152

SCHEMBL29092152

Cn1nc(C(N)=O)cc1C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 3/20 0.49
GSK3B P49841 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.39
GRN P28799 1/20 0.39
SORT1 Q99523 1/20 0.39
BAZ2B Q9UIF8 1/20 0.39
CDK8 P49336 2/20 0.39
LCK P06239 1/20 0.39
CCNC P24863 1/20 0.39
AURKA O14965 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
LTK P29376 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CLK2 P49760 1/20 0.38
CDK5 Q00535 1/20 0.38

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
SCHEMBL30287553 0.88 MEN1 (0.40) PLA2G10GSK3BMEN1KMT2ARXFP1
SCHEMBL5600063 0.88 KDM4E (0.44) PLA2G10MEN1KMT2ARXFP1L3MBTL1
SCHEMBL14351941 0.85 PLA2G10 (0.44) PLA2G10GSK3BMEN1KMT2ARXFP1
SCHEMBL18904958 0.83 BAZ2B (0.53) PLA2G10GSK3BMEN1KMT2ARXFP1
SCHEMBL7819956 0.83 PLA2G10 (0.43) PLA2G10GSK3BMEN1KMT2ARXFP1
SCHEMBL20455602 0.83 MEN1 (0.42) MEN1KMT2ARXFP1L3MBTL1KDM4E
SCHEMBL24914933 0.79 LMNA (0.51) MEN1KMT2AKDM4ELMNAFAAH
SCHEMBL15942241 0.79 PLA2G10 (0.49) PLA2G10GSK3BL3MBTL1KDM4EBAZ2B
SCHEMBL4751927 0.79 PLA2G10 (0.49) PLA2G10GSK3BL3MBTL1KDM4EBAZ2B
SCHEMBL16629260 0.79 KDM4E (0.39) PLA2G10MEN1KMT2ARXFP1KDM4E

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-110582485-B Pyrazole derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-13 CN claimed
CN-110582485-B Pyrazole derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-13 CN disclosed