SCHEMBL7197163

SCHEMBL7197163

COCC1OC(n2cnc3c(Cl)ncnc32)C(O)C1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.68
ADORA3 P0DMS8 7/20 0.65
ADK P55263 3/20 0.65
ADORA1 P30542 4/20 0.58
P2RY1 P47900 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
SRC P12931 2/20 0.55
P2RY2 P41231 2/20 0.55
DNPH1 O43598 1/20 0.55
PRKAB2 O43741 1/20 0.55
TRPM2 O94759 1/20 0.55
LDHA P00338 1/20 0.55
ADRB2 P07550 1/20 0.55
FBP1 P09467 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PDE4D Q08499 1/20 0.55
KCNH2 Q12809 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PDE3A Q14432 1/20 0.55

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
SCHEMBL6560740 1.00 TYMP (0.68) TYMPADORA3ADKADORA1P2RY1
SCHEMBL7197169 1.00 TYMP (0.68) TYMPADORA3ADKADORA1P2RY1
SCHEMBL21480367 0.90 TYMP (0.56) TYMPADORA3ADKADORA1P2RY1
SCHEMBL8207328 0.88 TYMP (0.68) TYMPADORA3ADORA1P2RY1SMN1; SMN2
SCHEMBL41365 0.87 ADORA3 (0.66) ADORA3ADKADORA1P2RY1SMN1; SMN2
SCHEMBL780585 0.87 ADORA3 (0.66) ADORA3ADKADORA1P2RY1SMN1; SMN2
SCHEMBL20414121 0.87 TYMP (0.62) TYMPADORA3ADORA1SMN1; SMN2ADORA2A
SCHEMBL15926827 0.86 ADORA1 (0.74) ADORA3ADORA1P2RY1SMN1; SMN2SRC
SCHEMBL384075 0.86 ADORA1 (0.74) ADORA3ADORA1P2RY1SMN1; SMN2SRC
SCHEMBL15788449 0.86 ADORA1 (0.74) ADORA3ADORA1P2RY1SMN1; SMN2SRC

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
WO-2014164253-A1 HETEROLOGOUS UNTRANSLATED REGIONS FOR MRNA MODERNA THERAPEUTICS, INC. (US) 2014-10-09 WO disclosed
WO-2013130161-A1 METHODS OF RESPONDING TO A BIOTHREAT modeRNA Therapeutics (US) 2013-09-06 WO disclosed
US-6544960-B1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2003-04-08 US disclosed