SCHEMBL7027243

SCHEMBL7027243

c1nc(-c2cc[nH]n2)c2nc[nH]c2n1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.33
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
KDM4A O75164 1/20 0.31
KDM4B O94953 1/20 0.31
KDM5C P41229 1/20 0.31
KDM5B Q9UGL1 1/20 0.31
BRD4 O60885 1/20 0.31

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
SCHEMBL17364297 0.75 ULK1 (0.44)
SCHEMBL7027245 0.72 AKT2 (0.47)
SCHEMBL7022512 0.72 CDK5 (0.44) JAK2JAK3
SCHEMBL2938674 0.71 JAK2 (0.54) JAK2JAK3
SCHEMBL18247812 0.70 KDM5B (0.60) JAK2JAK3KDM4AKDM4BKDM5C
SCHEMBL31340208 0.69 PRKACA (0.40) JAK3
SCHEMBL17364283 0.69 PNP (0.35) JAK2JAK1JAK3KDM4AKDM4B
SCHEMBL19575561 0.68 NAMPT (0.34)
Hypoxanthine SCHEMBL446722 0.67 LMNA (0.33)
Hypoxanthine SCHEMBL30633160 0.67 LMNA (0.33)

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