SCHEMBL8207328

SCHEMBL8207328

NOC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 1/20 0.68
P2RY1 P47900 4/20 0.58
ADORA1 P30542 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
P2RY2 P41231 3/20 0.58
SRC P12931 2/20 0.58
DNPH1 O43598 1/20 0.58
PRKAB2 O43741 1/20 0.58
TRPM2 O94759 1/20 0.58
LDHA P00338 1/20 0.58
ADRB2 P07550 1/20 0.58
FBP1 P09467 1/20 0.58
PRKAG1 P54619 1/20 0.58
PRKAA2 P54646 1/20 0.58
PDE4D Q08499 1/20 0.58
KCNH2 Q12809 1/20 0.58
PRKAA1 Q13131 1/20 0.58
PDE3A Q14432 1/20 0.58
TAS1R3 Q7RTX0 1/20 0.58
TAS1R1 Q7RTX1 1/20 0.58

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
SCHEMBL7197163 0.88 TYMP (0.68) TYMPP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL7197169 0.88 TYMP (0.68) TYMPP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL6560740 0.88 TYMP (0.68) TYMPP2RY1ADORA1SMN1; SMN2P2RY2
SCHEMBL17440176 0.87 ADORA1 (0.76) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL481524 0.87 ADORA1 (0.76) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL2040670 0.87 ADORA1 (0.76) P2RY1ADORA1SMN1; SMN2P2RY2SRC
SCHEMBL67126 0.85 SLC29A1 (0.73) TYMPADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL272123 0.85 SLC29A1 (0.73) TYMPADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL10062644 0.85 SLC29A1 (0.73) TYMPADORA1SMN1; SMN2ADORA3ADORA2A
SCHEMBL21139429 0.85 SLC29A1 (0.73) TYMPADORA1SMN1; SMN2ADORA3ADORA2A

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
US-6043228-A O6 -substituted guanine derivatives, a process for their preparation and their use in treating tumor cells CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) 2000-03-28 US claimed