SCHEMBL24175693

SCHEMBL24175693

COC(=O)c1cc2nc(OC)c(OC)nc2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 2/20 0.47
CSNK2B P67870 2/20 0.47
CSNK2A1 P68400 2/20 0.47
KDR P35968 1/20 0.47
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.41
STING1 Q86WV6 3/20 0.41
MAPT P10636 1/20 0.40
PAK4 O96013 1/20 0.39
AKT1 P31749 1/20 0.39
PLK1 P53350 1/20 0.39
OPRD1 P41143 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PIK3CA P42336 1/20 0.37

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
SCHEMBL21405827 0.89 STING1 (0.45) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL21405985 0.86 ALDH1A1 (0.39) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL30416042 0.86 ALDH1A1 (0.39) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL21406148 0.82 STING1 (0.52) ALDH1A1KDM4ESTING1MAPTGAA
SCHEMBL24175695 0.80 STING1 (0.53) KDM4ESTING1
SCHEMBL21405800 0.80 STING1 (0.44) CSNK2A2CSNK2BCSNK2A1KDRKDM4E
SCHEMBL30416428 0.80 STING1 (0.44) CSNK2A2CSNK2BCSNK2A1KDRKDM4E
SCHEMBL21454853 0.79 STING1 (0.52) ALDH1A1KDM4EHPGDSTING1NPC1
SCHEMBL24175168 0.78 STING1 (0.65) CSNK2A2CSNK2BCSNK2A1KDRALDH1A1
SCHEMBL21436929 0.78 STING1 (0.44) ALDH1A1KDM4EHPGDSTING1NPC1

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
WO-2022002077-A1 ARYL AROMATIC HETEROCYCLIC DERIVATIVE AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海海和药物研究开发股份有限公司 2022-01-06 WO disclosed