SCHEMBL9706194

SCHEMBL9706194

NCc1ncnc2c1ncn2F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.35
▸ ADORA1 P30542 7/20 0.35
▸ PI4KA P42356 6/20 0.35
▸ PI4K2B Q8TCG2 6/20 0.35
▸ PI4K2A Q9BTU6 6/20 0.35
▸ PI4KB Q9UBF8 6/20 0.35
▸ ADORA2B P29275 3/20 0.33
▸ AHCY P23526 1/20 0.33
▸ GSK3B P49841 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ MAPK1 P28482 1/20 0.31

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
SCHEMBL11908593 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5105972 0.70 PI4KA (0.52) PI4KAPI4K2BPI4K2API4KB
SCHEMBL4455868 0.61 ADORA2A (0.37) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL7668705 0.61 ADORA2A (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL12843997 0.60 ADORA1 (0.56) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL4563686 0.60 ADORA2A (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL24021884 0.59 ADORA2A (0.39) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3313637 0.59 HRH2 (0.34) PI4KAPI4K2BPI4K2API4KB
SCHEMBL12844273 0.58 PI4KA (0.48) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL72542 0.58 ADORA2A (0.46) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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
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