SCHEMBL29696567

SCHEMBL29696567

NC(=O)c1nc[nH]c2ccnc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.39
PARP1 P09874 1/20 0.37
CCNC P24863 4/20 0.36
CDK8 P49336 4/20 0.36
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
NR3C2 P08235 1/20 0.35
GAA P10253 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CDC7 O00311 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IKBKB O14920 1/20 0.32
CHUK O15111 1/20 0.32
CSNK1A1 P48729 1/20 0.32
TYRO3 Q06418 1/20 0.32
DYRK1B Q9Y463 1/20 0.32

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
SCHEMBL1706244 0.84 HSD17B10 (0.44) KDM4AKDM4BKDM5CKDM5BGAA
SCHEMBL28804353 0.76 CDK5 (0.43) PARP1L3MBTL1CSNK1A1TYRO3DYRK1B
SCHEMBL30665045 0.76 CDK5 (0.43) PARP1L3MBTL1CSNK1A1TYRO3DYRK1B
SCHEMBL4100623 0.74 ATR (0.34) CCNCCDK8KDM4AKDM4BKDM5C
SCHEMBL29696588 0.73 BRAF (0.40) GDAPARP1CCNCCDK8BRAF
SCHEMBL17541171 0.71 CSNK1A1 (0.45) GDAPARP1CCNCCDK8GAA
SCHEMBL1747899 0.71 KDM4A (0.37) GDAKDM4AKDM4BKDM5CKDM5B
SCHEMBL1056425 0.71 KDM4A (0.37) KDM4AKDM4BKDM5CKDM5B
SCHEMBL14034284 0.70 GDA (0.41) GDAPARP1GAAL3MBTL1ALDH1A1
SCHEMBL13348562 0.70 GDA (0.41) GDAPARP1GAAL3MBTL1ALDH1A1

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
EP-4003980-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 Ribon Therapeutics Inc. (US) 2022-06-01 EP disclosed