SCHEMBL2945103

SCHEMBL2945103

Nc1nc(N)n(C2CCOCC2)c2ncnc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.36
▸ MTOR P42345 6/20 0.35
▸ AKT1 P31749 2/20 0.35
▸ ADORA3 P0DMS8 3/20 0.34
▸ ADORA2A P29274 3/20 0.34
▸ ADORA1 P30542 3/20 0.34
▸ ADORA2B P29275 2/20 0.34
▸ RPS6KB1 P23443 2/20 0.34
▸ ROCK1 Q13464 2/20 0.34
▸ PIK3CA P42336 6/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ PIK3CD O00329 8/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ PIK3CG P48736 5/20 0.33
▸ ABL1 P00519 4/20 0.33
▸ EGFR P00533 4/20 0.33
▸ HCK P08631 4/20 0.33
▸ SRC P12931 4/20 0.33

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
SCHEMBL2953126 0.85 ADORA2A (0.47) ADORA3ADORA2AADORA1ADORA2BRPS6KB1
SCHEMBL2948983 0.65 ADORA2A (0.37) MTORADORA3ADORA2AADORA1ADORA2B
SCHEMBL2030108 0.64 ADORA2A (0.35) RETADORA3ADORA2AADORA1ADORA2B
SCHEMBL21311236 0.64 RPS6KB1 (0.50) MTORRPS6KB1ROCK1PIK3CAPIK3CD
SCHEMBL23929340 0.63 CYP1A2 (0.39) MTORAKT1PIK3CAJAK2JAK1
SCHEMBL29987032 0.63 CYP1A2 (0.39) MTORAKT1PIK3CAJAK2JAK1
SCHEMBL14247586 0.63 CCNC (0.43) MTORROCK1PIK3CAPIK3CD
SCHEMBL25269666 0.62 MTOR (0.44) RETMTORPIK3CAPIK3CDJAK2
SCHEMBL28495220 0.62 ADORA2A (0.46) ADORA3ADORA2AADORA1ADORA2BRPS6KB1
SCHEMBL16084167 0.61 CYP11B2 (0.43) MTORAKT1PIK3CAJAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 — — WO claimed
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