SCHEMBL8830311

SCHEMBL8830311

Nc1nc(NC2CC2)c2ncn([C@H]3C[C@H](F)[C@@H](CO)O3)c2n1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 1/20 0.60
▸ ALB P02768 1/20 0.60
▸ PDE4D Q08499 1/20 0.60
▸ ABCB1 P08183 1/20 0.49

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
SCHEMBL15499073 0.89 NR1I2 (0.61) NR1I2ALBPDE4DABCB1
SCHEMBL8826290 0.88 ADORA3 (0.63) PDE4D
SCHEMBL9542046 0.88 ADORA3 (0.63) PDE4D
SCHEMBL8826529 0.86 PGK1 (0.50) NR1I2ALBPDE4D
SCHEMBL8826210 0.86 PGK1 (0.56) PDE4D
SCHEMBL8939236 0.85 TSHR (0.59) —
SCHEMBL8826235 0.84 PGK1 (0.55) PDE4D
SCHEMBL9150000 0.84 PDE4D (0.61) PDE4D
SCHEMBL8826299 0.83 PGK1 (0.49) PDE4D
SCHEMBL8826282 0.83 CYP1A2 (0.47) PDE4D

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-5637574-A VIRICIDES GLAXO WELLCOME INC. (US) 1997-06-10 — — US claimed
EP-0620734-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1994-10-26 — — EP claimed
WO-1993013778-A1 THERAPEUTIC NUCLEOSIDES THE WELLCOME FOUNDATION LIMITED (GB) 1993-07-22 — — WO claimed
US-5637574-A VIRICIDES GLAXO WELLCOME INC. (US) 1997-06-10 — — US disclosed
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