SCHEMBL6886938

SCHEMBL6886938

OC[C@H]1O[C@@H](Nc2nc(Cl)nc3nc[nH]c23)[C@H](O)[C@H]1O

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.48
▸ GSK3B P49841 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ADK P55263 1/20 0.41
▸ TMIGD3 P0DMS9 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ HTR2B P41595 1/20 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
SCHEMBL2873813 0.86 ADK (0.43) GSK3BADK
SCHEMBL3877450 0.86 ADK (0.43) GSK3BADK
SCHEMBL6879951 0.84 XDH (0.42) XDHGSK3BSMN1; SMN2TMIGD3HTR2C
SCHEMBL6882325 0.80 XDH (0.46) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL9805128 0.79 GSK3B (0.49) GSK3BADK
SCHEMBL6752564 0.78 XDH (0.44) XDHSMN1; SMN2TMIGD3HTR2CHTR2B
SCHEMBL5472025 0.77 CDK1 (0.42) ADK
SCHEMBL5474432 0.77 CDK1 (0.42) ADK
SCHEMBL28542110 0.76 GDA (0.48) XDHGSK3B
SCHEMBL28631534 0.76 GDA (0.48) XDHGSK3B

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
EP-1411954-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION Pharmasset Limited (BB) 2004-04-28 — — EP disclosed
WO-2002032920-A2 MODIFIED NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS AND ABNORMAL CELLULAR PROLIFERATION PHARMASSET LIMITED (BB) 2002-04-25 — — WO disclosed
Send feedback