SCHEMBL6947463

SCHEMBL6947463

N=C(N)N(O)c1ncnc2nc[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.56
PDPK1 O15530 2/20 0.56
CHEK1 O14757 1/20 0.56
AURKA O14965 1/20 0.56
CHEK2 O96017 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HSP90AB1 P08238 1/20 0.56
PRKACA P17612 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
MARK3 P27448 1/20 0.56
RPS6KA3 P51812 1/20 0.56
PRKCD Q05655 1/20 0.56
MARK2 Q7KZI7 1/20 0.56
HSD17B10 Q99714 3/20 0.50
HTT P42858 7/20 0.49
MAP3K5 Q99683 1/20 0.49
PI4KA P42356 2/20 0.47
PI4K2B Q8TCG2 2/20 0.47
PI4K2A Q9BTU6 2/20 0.47

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
SCHEMBL30544086 0.75 LRRK2 (0.67) LRRK2PDPK1CHEK1AURKACHEK2
SCHEMBL6947460 0.75 CHEK1 (0.31) LRRK2PDPK1CHEK1AURKACHEK2
SCHEMBL30602928 0.73 LRRK2 (0.73) LRRK2PDPK1CHEK1AURKACHEK2
SCHEMBL6517686 0.73 LRRK2 (0.73) LRRK2PDPK1CHEK1AURKACHEK2
SCHEMBL9203099 0.72 HTT (0.62) LRRK2PDPK1CHEK1AURKACHEK2
Dimethyladenine SCHEMBL152594 0.72 LRRK2 (1.00) LRRK2PDPK1CHEK1AURKACHEK2
Dimethyladenine SCHEMBL29349831 0.72 LRRK2 (1.00) LRRK2PDPK1CHEK1AURKACHEK2
Dimethyladenine SCHEMBL11157548 0.70 PDPK1 (0.96) LRRK2PDPK1CHEK1AURKACHEK2
SCHEMBL31439422 0.70 HTT (0.59) LRRK2PDPK1CHEK1AURKACHEK2
SCHEMBL3038560 0.68 EGFR (0.60) LRRK2PDPK1CHEK1AURKACHEK2

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
EP-0986396-A4 PRION PROTEIN MODULATOR FACTOR (PPMF) AND PRION RESISTANT ANIMALS UNIV CALIFORNIA (US) 2003-05-02 EP disclosed
EP-0986396-A1 PRION PROTEIN MODULATOR FACTOR (PPMF) AND PRION RESISTANT ANIMALS The Regents of the University of California (US) 2000-03-22 EP disclosed
WO-1998055132-A1 PRION PROTEIN MODULATOR FACTOR (PPMF) AND PRION RESISTANT ANIMALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1998-12-10 WO disclosed