SCHEMBL18520344

SCHEMBL18520344

Nc1ncnc2c1NNN2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 6/20 0.36
LRRK2 Q5S007 5/20 0.36
DAPK3 O43293 5/20 0.36
MAP4K4 O95819 5/20 0.36
KDR P35968 5/20 0.36
CSNK1A1 P48729 5/20 0.36
RPS6KA3 P51812 5/20 0.36
CDK5 Q00535 5/20 0.36
CLK4 Q9HAZ1 5/20 0.36
LIMK1 P53667 5/20 0.36
FGFR1 P11362 4/20 0.36
LTK P29376 4/20 0.36
CDK7 P50613 4/20 0.36
TYRO3 Q06418 4/20 0.36
ALK Q9UM73 4/20 0.36
DYRK1B Q9Y463 4/20 0.36
PRKD3 O94806 4/20 0.36
AURKB Q96GD4 4/20 0.36
CSF1R P07333 3/20 0.36
FLT1 P17948 3/20 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
SCHEMBL9413248 0.68 RET (0.36) RETLRRK2DAPK3MAP4K4KDR
SCHEMBL9413252 0.67 KDR (0.56) RETLRRK2DAPK3MAP4K4KDR
Vitamin B4 SCHEMBL4257555 0.67 KDR (0.43) RETLRRK2DAPK3MAP4K4KDR
SCHEMBL14379846 0.61 KDR (0.34) RETLRRK2DAPK3MAP4K4KDR
SCHEMBL12844194 0.60 KDR (0.45) RETLRRK2DAPK3MAP4K4KDR
SCHEMBL16015971 0.60 PI4KA (0.34) RETLRRK2LIMK1PI4KAPI4K2B
SCHEMBL16712838 0.60 LRRK2 (0.37) RETLRRK2DAPK3MAP4K4KDR
SCHEMBL17379959 0.60 PI4KA (0.31) RETLRRK2PI4KAPI4K2BPI4K2A
SCHEMBL1718947 0.59
SCHEMBL16364781 0.58 DAPK3 (0.33) RETLRRK2DAPK3MAP4K4KDR

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 6 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-2020117623-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 WO disclosed
WO-2020117625-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2020-06-11 WO 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
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 WO disclosed