SCHEMBL9683749

SCHEMBL9683749

CCOP(=O)(CCC(CO)On1cnc2c(N)ncnc21)OCC

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.42
CYP3A4 P08684 4/20 0.41
ADORA2A P29274 5/20 0.41
ADORA1 P30542 4/20 0.41
AHCY P23526 4/20 0.40
PI4KA P42356 1/20 0.40
PI4K2B Q8TCG2 1/20 0.40
PI4K2A Q9BTU6 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
ADORA2B P29275 1/20 0.39
CYP2D6 P10635 3/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39

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
SCHEMBL9858133 0.88 FGFR1 (0.47) FGFR1CYP3A4CYP2D6SLC22A6
SCHEMBL9685592 0.85 CYP3A4 (0.47) FGFR1CYP3A4ADORA2AADORA1AHCY
SCHEMBL9858312 0.85 FGFR1 (0.49) FGFR1CYP3A4ADORA2AADORA1CYP2D6
SCHEMBL9684215 0.85 ADORA2A (0.40) FGFR1CYP3A4ADORA2AADORA1AHCY
SCHEMBL9683414 0.83 ABCB11 (0.36) FGFR1CYP3A4ADORA2AADORA1PI4KA
SCHEMBL9683794 0.82 CYP3A4 (0.41) FGFR1CYP3A4ADORA2AADORA1AHCY
SCHEMBL9684337 0.81 HSP90AA1 (0.35) HSP90AA1HSP90AB1
SCHEMBL9555568 0.81 FAP (0.44) FGFR1CYP3A4ADORA2AADORA1AHCY
SCHEMBL9555527 0.81 FAP (0.44) FGFR1CYP3A4ADORA2AADORA1AHCY
SCHEMBL9417158 0.81 FAP (0.44) FGFR1CYP3A4ADORA2AADORA1AHCY

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-5166198-A Herpes virus infections BEECHAM P.L.C. (GB) 1992-11-24 US disclosed
EP-0404296-A1 Phosphono derivatives of purine with antiviral activity Beecham Group p.l.c. (GB) 1990-12-27 EP disclosed