SCHEMBL9857545

SCHEMBL9857545

CCOP(=O)(COCC(O)COn1cnc2c(N)ncnc21)OCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 2/20 0.44
FAP Q12884 2/20 0.44
ABCB11 O95342 1/20 0.44
POLA1 P09884 1/20 0.44
POLG P54098 1/20 0.44
CYP3A4 P08684 8/20 0.42
FGFR1 P11362 3/20 0.42
ENPP1 P22413 1/20 0.41
CYP2D6 P10635 7/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 1/20 0.40
AHCY P23526 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
SCHEMBL9858011 0.88 SLC22A6 (0.43) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9683794 0.87 CYP3A4 (0.41) SLC22A6CYP3A4FGFR1ENPP1CYP2D6
SCHEMBL9857534 0.86 FGFR1 (0.57) SLC22A6CYP3A4FGFR1ENPP1ADORA2A
SCHEMBL9127128 0.85 FAP (0.48) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9417160 0.84 SLC22A6 (0.50) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9858312 0.84 FGFR1 (0.49) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9555527 0.83 FAP (0.44) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9417158 0.83 FAP (0.44) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9555568 0.83 FAP (0.44) SLC22A6FAPABCB11POLA1POLG
SCHEMBL9858339 0.82 FGFR1 (0.50) SLC22A6FAPABCB11POLA1POLG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5055458-A PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BEECHAM GROUP P.L.C. (GB) 1991-10-08 US claimed
US-5055458-A PURINE DERIVATIVES HAVING ANTIVIRAL ACTIVITY BEECHAM GROUP P.L.C. (GB) 1991-10-08 US disclosed
EP-0353955-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-02-07 EP disclosed