SCHEMBL18520064

SCHEMBL18520064

C=CNc1nccc(C)c1N

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.48
NOS3 P29474 5/20 0.48
LMNA P02545 1/20 0.34
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOS1 P29475 2/20 0.31
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LIMK1 P53667 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL21308025 0.81 NCF1 (0.31)
SCHEMBL24929833 0.77 MEN1 (0.39) LMNAMAPTL3MBTL1KDM4EMEN1
SCHEMBL2270250 0.76 NOS2 (0.56) NOS2NOS3LMNACCR1CCR5
SCHEMBL19909042 0.73 RAB9A (0.52) NOS2NOS3LMNAMAPTL3MBTL1
SCHEMBL18519585 0.72
SCHEMBL21899450 0.71 NOS2 (0.54) NOS2NOS3LMNACCR1CCR5
SCHEMBL17150156 0.70
SCHEMBL7443977 0.69 NOS3 (0.47) NOS2NOS3LMNAMAPTL3MBTL1
SCHEMBL12159369 0.68 PDPK1 (0.38)
SCHEMBL19217164 0.68 LRRK2 (0.30)

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
WO-2017027645-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 WO disclosed
WO-2017027646-A1 CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-02-16 WO disclosed