SCHEMBL7027583

SCHEMBL7027583

c1ccc2c(-c3ncnc4nc[nH]c34)c[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ LMNA P02545 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ HTT P42858 1/20 0.54
▸ GFER P55789 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ HTR2C P28335 2/20 0.54
▸ HTR2B P41595 2/20 0.54
▸ HTR5A P47898 2/20 0.54
▸ PIK3CA P42336 2/20 0.51
▸ AKT2 P31751 3/20 0.50
▸ PIK3CB P42338 1/20 0.46
▸ PIK3CG P48736 1/20 0.46
▸ CLK1 P49759 1/20 0.45
▸ CDK5 Q00535 1/20 0.45
▸ CDK5R1 Q15078 1/20 0.45
▸ PDGFRB P09619 1/20 0.44
▸ IMPDH2 P12268 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44

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
SCHEMBL4042003 0.76 MAPT (0.54) MAPTMAPK1LMNASMN1; SMN2HTR2C
SCHEMBL31512553 0.76 MAPT (0.54) MAPTMAPK1LMNASMN1; SMN2HTR2C
SCHEMBL28765140 0.75 AKT2 (0.52) MAPK1LMNASMN1; SMN2PIK3CAAKT2
SCHEMBL2938675 0.74 AKT2 (0.70) AKT2MAPK14
SCHEMBL16939183 0.73 JAK2 (0.58) MAPTMAPK1LMNASMN1; SMN2HTR2C
SCHEMBL18486241 0.72 PIK3CA (0.46) MAPTMAPK1LMNASMN1; SMN2HTT
SCHEMBL29761049 0.72 AKT2 (0.46) LMNAPIK3CAAKT2PIK3CBPIK3CG
SCHEMBL5249231 0.72 CDK5 (0.50) MAPTMAPK1LMNASMN1; SMN2HTT
SCHEMBL8707173 0.72 AKT2 (0.47) MAPTLMNASMN1; SMN2HTTPIK3CA
SCHEMBL7027580 0.71 MAPK14 (0.47) MAPTAKT2MEN1KMT2AMAPK14

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
WO-2002018404-A9 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C HOFFMANN LA ROCHE (CH) 2003-10-02 — — WO disclosed
EP-1315736-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2003-06-04 — — EP disclosed
WO-2002018404-A2 NUCLEOSIDE DERIVATIVES FOR THE TREATMENT OF HEPATITIS C F. HOFFMANN-LA ROCHE AG (CH) 2002-03-07 — — WO disclosed
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