SCHEMBL7563202

SCHEMBL7563202

COC1(OC)C=CC(C(OC[C@H]2O[C@@](C(=O)c3ccccc3)(n3cnc4c(N)ncnc43)C[C@@H]2O)(c2ccccc2)c2ccccc2)=CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.38
TYMP P19971 6/20 0.35
NT5E P21589 1/20 0.34
P2RX3 P56373 2/20 0.33
P2RX4 Q99571 2/20 0.33
P2RX2 Q9UBL9 2/20 0.33
ENPP1 P22413 1/20 0.33
EGFR P00533 1/20 0.33
SLC28A1 O00337 1/20 0.32
P2RY1 P47900 1/20 0.32
AHCY P23526 1/20 0.32
P2RX6 O15547 1/20 0.32
P2RX1 P51575 1/20 0.32
P2RX5 Q93086 1/20 0.32
P2RY11 Q96G91 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL29812366 0.88 ADORA1 (0.44) ADORA1TYMPNT5EP2RX3P2RX4
SCHEMBL29720399 0.78 ADORA1 (0.40) ADORA1NT5EP2RX3P2RX4P2RX2
SCHEMBL7924982 0.78 ADORA1 (0.32) ADORA1
SCHEMBL16401780 0.77 TYMP (0.45) ADORA1TYMPNT5E
SCHEMBL1071563 0.77 ADORA1 (0.49) ADORA1TYMPNT5EAHCY
SCHEMBL2952014 0.77 SLC28A1 (0.48) ADORA1EGFRSLC28A1
Phosphoric Acid SCHEMBL20702110 0.74 SLC28A1 (0.46) ADORA1P2RX3P2RX4P2RX2ENPP1
SCHEMBL30079948 0.72 TYMP (0.49) TYMPP2RY1
SCHEMBL28226983 0.71 TYMP (0.48) ADORA1TYMPNT5EEGFR
SCHEMBL31170853 0.70 TYMP (0.38) TYMP

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-2002068437-A9 PROTECTED DEOXYADENOSINES AND DEOXYGUANOSINES HONEYWELL INT INC (US) 2002-10-17 WO disclosed
WO-2002068437-A1 PROTECTED DEOXYADENOSINES AND DEOXYGUANOSINES HONEYWELL INTERNATIONAL, INC. (US) 2002-09-06 WO disclosed