SCHEMBL23728535

SCHEMBL23728535

Cc1ccn2nc(C(=O)O)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APOBEC3A P31941 2/20 0.53
APOBEC3G Q9HC16 1/20 0.53
KDM4E B2RXH2 10/20 0.40
ALDH1A1 P00352 9/20 0.40
GAA P10253 4/20 0.38
POLB P06746 1/20 0.38
RPA1 P27694 1/20 0.38
HSD17B10 Q99714 2/20 0.36
PDE10A Q9Y233 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
GLA P06280 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL30845885 0.85 ALDH1A1 (0.45) APOBEC3AAPOBEC3GKDM4EALDH1A1POLB
SCHEMBL23728645 0.83 APOBEC3A (0.49) APOBEC3AAPOBEC3GKDM4EALDH1A1GAA
SCHEMBL21033151 0.83 KDM4E (0.48) KDM4EALDH1A1GAAPOLBHSD17B10
SCHEMBL31035784 0.80 KDM4E (0.49) KDM4EALDH1A1GAAPOLBHPGD
SCHEMBL15287379 0.80 APOBEC3A (0.53) APOBEC3AAPOBEC3GKDM4EALDH1A1GAA
SCHEMBL17141136 0.80 KDM4E (0.43) APOBEC3AAPOBEC3GKDM4EALDH1A1GAA
SCHEMBL22672595 0.80 APOBEC3A (0.49) APOBEC3AAPOBEC3GKDM4EALDH1A1GAA
SCHEMBL23728605 0.79 APOBEC3A (0.51) APOBEC3AAPOBEC3GKDM4EALDH1A1GAA
SCHEMBL5133266 0.76 APOBEC3A (0.49) APOBEC3AAPOBEC3GKDM4EALDH1A1HSD17B10
SCHEMBL545249 0.76 KDM4E (0.50) KDM4EALDH1A1GAAPDE10ASMN1; SMN2

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
EP-4100004-A1 IRAK DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2022-12-14 EP disclosed
WO-2021158634-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2021-08-12 WO disclosed