SCHEMBL9857534

SCHEMBL9857534

Nc1ncnc2c1ncn2OCC(O)COCP(=O)(O)O

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 1/20 0.57
▸ SLC22A6 Q4U2R8 1/20 0.57
▸ CYP3A4 P08684 1/20 0.51
▸ HPRT1 P00492 4/20 0.47
▸ ENPP1 P22413 1/20 0.44
▸ FBP1 P09467 1/20 0.43
▸ ADORA2A P29274 3/20 0.43
▸ AHCY P23526 1/20 0.43
▸ FHIT P49789 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ RNASEL Q05823 3/20 0.41

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
SCHEMBL9857545 0.86 SLC22A6 (0.44) FGFR1SLC22A6CYP3A4ENPP1ADORA2A
SCHEMBL9685561 0.85 CYP3A4 (0.47) FGFR1SLC22A6CYP3A4ENPP1ADORA2A
SCHEMBL9180474 0.85 CYP3A4 (0.57) FGFR1SLC22A6CYP3A4ENPP1ADORA2A
SCHEMBL9185744 0.84 SLC22A6 (0.62) FGFR1SLC22A6CYP3A4ENPP1FBP1
SCHEMBL6334793 0.84 FGFR1 (0.61) FGFR1SLC22A6CYP3A4ENPP1FBP1
Ammonia Solution, Strong SCHEMBL9128742 0.84 CYP3A4 (0.56) FGFR1SLC22A6CYP3A4ENPP1ADORA2A
Ammonia Solution, Strong SCHEMBL9128718 0.84 CYP3A4 (0.56) FGFR1SLC22A6CYP3A4ENPP1ADORA2A
Ammonia Solution, Strong SCHEMBL9124811 0.83 SLC22A6 (0.61) FGFR1SLC22A6CYP3A4ENPP1FBP1
SCHEMBL2107417 0.83 FGFR1 (0.68) FGFR1SLC22A6CYP3A4ENPP1FBP1
Ammonia Solution, Strong SCHEMBL9124830 0.83 SLC22A6 (0.61) FGFR1SLC22A6CYP3A4ENPP1FBP1

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
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