SCHEMBL8610210

SCHEMBL8610210

CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)O[C@H]1n1cnc2c(N)ncnc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.61
P2RX3 P56373 3/20 0.57
P2RX4 Q99571 3/20 0.57
P2RX2 Q9UBL9 3/20 0.57
TYMP P19971 8/20 0.56
NT5E P21589 1/20 0.53
PRKAB2 O43741 1/20 0.52
PRKAG1 P54619 1/20 0.52
PRKAA2 P54646 1/20 0.52
PRKAA1 Q13131 1/20 0.52
PRKAG3 Q9UGI9 1/20 0.52
PRKAG2 Q9UGJ0 1/20 0.52
PRKAB1 Q9Y478 1/20 0.52
P2RX1 P51575 2/20 0.51
P2RX7 Q99572 2/20 0.51
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL8612194 0.91 ADORA1 (0.54) ADORA1P2RX3P2RX4P2RX2TYMP
SCHEMBL30592508 0.87 PRKAB2 (0.57) ADORA1P2RX3P2RX4P2RX2TYMP
SCHEMBL3803391 0.86 TYMP (0.54) ADORA1P2RX3P2RX4P2RX2TYMP
SCHEMBL13597931 0.84 ALDH1A1 (0.65) ADORA1P2RX3P2RX4P2RX2PRKAB2
SCHEMBL10033986 0.84 ALDH1A1 (0.65) ADORA1P2RX3P2RX4P2RX2PRKAB2
SCHEMBL23982402 0.84 ALDH1A1 (0.65) ADORA1P2RX3P2RX4P2RX2PRKAB2
SCHEMBL8205660 0.84 ALDH1A1 (0.65) ADORA1P2RX3P2RX4P2RX2PRKAB2
SCHEMBL4425824 0.84 ALDH1A1 (0.65) ADORA1P2RX3P2RX4P2RX2PRKAB2
SCHEMBL11423681 0.84 ALDH1A1 (0.65) ADORA1P2RX3P2RX4P2RX2PRKAB2
SCHEMBL19889158 0.84 ALDH1A1 (0.65) ADORA1P2RX3P2RX4P2RX2PRKAB2

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
US-5750675-A 2'-\"up\" fluorinated 2'-deoxy-arabinofuranosylpurines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1998-05-12 US disclosed
US-5525720-A Synthesis of 2'-\"up\" fluorinated 2'-deoxy-arabinofuranosyl purines SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1996-06-11 US disclosed