SCHEMBL10345562

SCHEMBL10345562

CC(c1cccc2c1Cc1ccccc1-2)[C@@]1(n2cnc3c(N)ncnc32)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.40
PI4K2B Q8TCG2 2/20 0.40
PI4K2A Q9BTU6 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
ADORA3 P0DMS8 4/20 0.40
ADORA2A P29274 3/20 0.40
SLC28A1 O00337 2/20 0.38
DPP4 P27487 1/20 0.37
MEN1 O00255 1/20 0.37
MAP3K7 O43318 1/20 0.37
SLC28A2 O43868 1/20 0.37
GAPDH P04406 1/20 0.37
MAPK1 P28482 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
STAT6 P42226 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DOT1L Q8TEK3 1/20 0.37
SLC29A1 Q99808 1/20 0.37

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
SCHEMBL2519175 0.85 PI4KA (0.43) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL13268818 0.81 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL13269091 0.81 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL5525776 0.81 PI4KA (0.45) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL10345558 0.81 ADORA3 (0.42) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL10345331 0.80 ADORA3 (0.43) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL10345450 0.79 ADORA3 (0.42) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL13268769 0.78 INMT (0.43) PI4KAPI4K2BPI4K2API4KBADORA3
Benzene SCHEMBL27650186 0.78 PI4KA (0.48) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL7435441 0.78 ADORA3 (0.50) PI4KAPI4K2BPI4K2API4KBADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0179630-B1 N6-ACENAPHTHYL ADENOSINES AND ANALOGS THEREOF WARNER-LAMBERT COMPANY (US) 1990-03-07 EP claimed
EP-0179630-A2 N6-acenaphthyl adenosines and analogs thereof WARNER-LAMBERT COMPANY (US) 1986-04-30 EP claimed
EP-0179630-B1 N6-ACENAPHTHYL ADENOSINES AND ANALOGS THEREOF WARNER-LAMBERT COMPANY (US) 1990-03-07 EP disclosed
US-4663313-A N6 -tricyclic adenosines for treating hypertension WARNER-LAMBERT COMPANY (US) 1987-05-05 US disclosed