SCHEMBL24377429

SCHEMBL24377429

CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)C(F)C1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NT5E P21589 2/20 0.49
ADORA1 P30542 5/20 0.48
ADORA3 P0DMS8 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ADORA2A P29274 2/20 0.47
ADORA2B P29275 2/20 0.47
DPP4 P27487 1/20 0.47
MEN1 O00255 1/20 0.47
SLC28A1 O00337 1/20 0.47
MAP3K7 O43318 1/20 0.47
SLC28A2 O43868 1/20 0.47
GAPDH P04406 1/20 0.47
MAPK1 P28482 1/20 0.47
STAT6 P42226 1/20 0.47
PI4KA P42356 1/20 0.47
KMT2A Q03164 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
DOT1L Q8TEK3 1/20 0.47
SLC29A1 Q99808 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47

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
SCHEMBL21393132 1.00 NT5E (0.49) NT5EADORA1ADORA3SMN1; SMN2ADORA2A
SCHEMBL21384830 1.00 NT5E (0.49) NT5EADORA1ADORA3SMN1; SMN2ADORA2A
SCHEMBL22220143 0.91 ADORA1 (0.50) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL6762689 0.91 ADORA1 (0.50) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL30867101 0.91 ADORA1 (0.50) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL21859282 0.91 ADORA1 (0.50) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL21859151 0.91 ADORA1 (0.50) ADORA1ADORA3SMN1; SMN2ADORA2AADORA2B
SCHEMBL25389125 0.89 ADORA3 (0.58) NT5EADORA1ADORA3SMN1; SMN2ADORA2A
SCHEMBL24377184 0.89 ADORA3 (0.58) NT5EADORA1ADORA3SMN1; SMN2ADORA2A
SCHEMBL19590291 0.89 ADORA3 (0.58) NT5EADORA1ADORA3SMN1; SMN2ADORA2A

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-4242218-A1 MULTIFUNCTIONAL CYCLIC DINUCLEOTIDE AND USE THEREOF Tyligand Bioscience (Shanghai) Limited (CN) 2023-09-13 EP disclosed
WO-2022083584-A1 MULTIFUNCTIONAL CYCLIC DINUCLEOTIDE AND USE THEREOF 泰励生物科技(上海)有限公司 2022-04-28 WO disclosed