SCHEMBL9857628

SCHEMBL9857628

Nc1ncnc2c1ncn2OC(O)CCOCP(=O)(O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.61
SLC22A6 Q4U2R8 2/20 0.61
CYP3A4 P08684 5/20 0.50
ENPP1 P22413 1/20 0.46
ABCB11 O95342 1/20 0.41
POLA1 P09884 1/20 0.41
POLG P54098 1/20 0.41
FAP Q12884 1/20 0.41
ALDH1A1 P00352 1/20 0.40
FBP1 P09467 1/20 0.40
CYP2D6 P10635 4/20 0.40
RNASEL Q05823 3/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40

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
SCHEMBL9858162 0.94 FGFR1 (0.59) FGFR1SLC22A6CYP3A4ENPP1ABCB11
SCHEMBL9858153 0.88 FGFR1 (0.60) FGFR1SLC22A6CYP3A4ENPP1ABCB11
SCHEMBL9858347 0.86 FGFR1 (0.47) FGFR1SLC22A6CYP3A4ENPP1
SCHEMBL2107417 0.82 FGFR1 (0.68) FGFR1SLC22A6CYP3A4ENPP1ABCB11
SCHEMBL29391225 0.82 FGFR1 (0.68) FGFR1SLC22A6CYP3A4ENPP1ABCB11
SCHEMBL9857605 0.81 FGFR1 (0.57) FGFR1SLC22A6CYP3A4ENPP1FBP1
SCHEMBL9858137 0.81 SLC22A6 (0.47) FGFR1SLC22A6CYP3A4ENPP1ABCB11
SCHEMBL9857536 0.81 FGFR1 (0.65) FGFR1SLC22A6CYP3A4ENPP1ABCB11
SCHEMBL9858115 0.79 HPRT1 (0.63) POLA1POLG
SCHEMBL9185744 0.79 SLC22A6 (0.62) FGFR1SLC22A6CYP3A4ENPP1ABCB11

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 4 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
EP-0353955-A2 Novel compounds BEECHAM GROUP PLC (GB) 1990-02-07 EP 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