SCHEMBL18520454

SCHEMBL18520454

Nc1nc2[nH]cc(F)c2c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.47
TYMS P04818 7/20 0.45
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
PMP22 Q01453 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL12884842 0.80 TYMS (0.46) DYRK1ATYMSMAPTKDM4EALDH1A1
SCHEMBL12820951 0.80 DYRK1A (0.46) DYRK1ATYMS
SCHEMBL15061831 0.80 TYMS (0.48) DYRK1ATYMSMAPTKDM4EALDH1A1
SCHEMBL24704369 0.80 DYRK1A (0.46) DYRK1ATYMSMAPTKDM4EALDH1A1
SCHEMBL21161374 0.77 TYMS (0.49) TYMS
SCHEMBL166747 0.77 TYMS (0.49) TYMS
SCHEMBL94358 0.76 CHUK (0.56) TYMS
SCHEMBL3391755 0.76 DYRK1A (0.42) DYRK1ATYMSMAPTKDM4EALDH1A1
SCHEMBL22227944 0.76 TYMS (0.50) DYRK1ATYMS
SCHEMBL3793648 0.76 DYRK1A (0.42) DYRK1ATYMSMAPTKDM4EALDH1A1

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
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