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SCHEMBL9705666

SCHEMBL9705666

O=C(Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@H]1OC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 10/20 0.58
▸ P2RY12 Q9H244 2/20 0.53
▸ P2RY2 P41231 1/20 0.50
▸ P2RY1 P47900 1/20 0.50
▸ P2RY6 Q15077 1/20 0.50
▸ DNPH1 O43598 1/20 0.49
▸ ADORA1 P30542 2/20 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
SCHEMBL9024707 0.92 TYMP (0.69) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL9550751 0.92 TYMP (0.69) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL9706200 0.91 TYMP (0.59) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL6517903 0.90 TYMP (0.56) TYMPP2RY12ADORA1
SCHEMBL23650062 0.90 TYMP (0.58) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL30091055 0.90 TYMP (0.58) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL7708120 0.90 TYMP (0.58) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL6513309 0.90 TYMP (0.58) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL30396368 0.90 TYMP (0.58) TYMPP2RY12P2RY2P2RY1P2RY6
SCHEMBL8613074 0.89 TYMP (0.49) 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 1 patent. 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 disclosed