SCHEMBL6947460

SCHEMBL6947460

N=C(N)N(O)c1ncnc2[nH]cnc12

nearest known ligand 0.31

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
PDPK1 O15530 1/20 0.31
CHEK2 O96017 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
PRKACA P17612 1/20 0.31
CCNE1 P24864 1/20 0.31
CDK2 P24941 1/20 0.31
MARK3 P27448 1/20 0.31
RPS6KA3 P51812 1/20 0.31
PRKCD Q05655 1/20 0.31
LRRK2 Q5S007 1/20 0.31
MARK2 Q7KZI7 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
SCHEMBL29100435 0.77 LRRK2 (0.41) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL6947463 0.75 LRRK2 (0.56) CHEK1AURKAPDPK1CHEK2HSP90AA1
Dimethyladenine SCHEMBL152593 0.73 LRRK2 (0.52) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL6517684 0.72 LRRK2 (0.42) CHEK1AURKAPDPK1CHEK2HSP90AA1
Dimethyladenine SCHEMBL11157543 0.72 LRRK2 (0.50) CHEK1AURKAPDPK1CHEK2HSP90AA1
Dimethyladenine SCHEMBL28476806 0.72 LRRK2 (0.50) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL401115 0.70 CHEK1 (0.37) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL10700195 0.70 CHEK1 (0.37) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL5019515 0.69 HTT (0.41) CHEK1AURKAPDPK1CHEK2HSP90AA1
SCHEMBL5019519 0.68 HSD17B10 (0.39) CHEK1AURKAPDPK1CHEK2HSP90AA1

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