SCHEMBL21895409

SCHEMBL21895409

Nc1ccnc2[nH]c(=O)sc12

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.42
PDE3B Q13370 8/20 0.39
PDE3A Q14432 8/20 0.39
DAO P14920 2/20 0.33
PTPN11 Q06124 1/20 0.33
SYK P43405 1/20 0.32
AURKB Q96GD4 1/20 0.31

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
SCHEMBL8664696 0.73 LIMK1 (0.39) AURKAPDE3BPDE3AAURKB
SCHEMBL21895411 0.70 PDE3B (0.37) AURKAPDE3BPDE3ASYK
SCHEMBL341252 0.67 PDE3B (0.49) AURKAPDE3BPDE3ADAOSYK
SCHEMBL339945 0.66 PDE3B (0.40) AURKAPDE3BPDE3ADAO
SCHEMBL21895410 0.65 AURKA (0.45) AURKADAOPTPN11
SCHEMBL3816282 0.65 PDPK1 (0.43) AURKAPDE3BPDE3ASYK
SCHEMBL9039612 0.63 AURKA (0.58) AURKAPDE3BPDE3ADAOAURKB
SCHEMBL29585324 0.62 MEN1 (0.39)
SCHEMBL338384 0.62 RPS6KA3 (0.52)
SCHEMBL23679798 0.61

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3854799-B1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION SHANGHAI DE NOVO PHARMATECH CO LTD (CN) 2024-07-17 EP disclosed
EP-3854799-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION Shanghai de Novo Pharmatech Co., Ltd. (CN) 2021-07-28 EP disclosed
WO-2020057546-A1 CYCLIC DINUCLEOTIDE ANALOGUE, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION 上海迪诺医药科技有限公司 2020-03-26 WO disclosed