SCHEMBL9705256

SCHEMBL9705256

CC(=O)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H]1O

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TYMP P19971 10/20 0.59
ADORA1 P30542 2/20 0.51
P2RY12 Q9H244 2/20 0.51
BMPR1B O00238 1/20 0.50
P2RY2 P41231 1/20 0.49
P2RY1 P47900 1/20 0.49
P2RY6 Q15077 1/20 0.49

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
SCHEMBL9706200 0.94 TYMP (0.59) TYMPADORA1P2RY12BMPR1BP2RY2
SCHEMBL8612941 0.91 TYMP (0.52) TYMPADORA1P2RY12BMPR1B
SCHEMBL8612947 0.91 TYMP (0.52) TYMPADORA1P2RY12BMPR1B
SCHEMBL8610091 0.89 TYMP (0.52) TYMPADORA1
SCHEMBL9705666 0.85 TYMP (0.58) TYMPADORA1P2RY12P2RY2P2RY1
SCHEMBL8610332 0.85 TYMP (0.67) TYMPADORA1
SCHEMBL8610982 0.84 TYMP (0.83) TYMPADORA1
SCHEMBL8610268 0.83 TYMP (0.63) TYMPADORA1
SCHEMBL8610799 0.83 TYMP (0.63) TYMPADORA1
SCHEMBL9550751 0.83 TYMP (0.69) TYMPADORA1P2RY12P2RY2P2RY1

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-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO claimed
WO-1992011276-A1 NOVEL SYNTHESIS OF 2'-'UP' FLUORINATED 2''-DEOXY-ARABINOFURANOSYLPURINES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1992-07-09 WO disclosed