SCHEMBL2465458

SCHEMBL2465458

CC(=O)Oc1nccnc1C(=N)N

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 2/20 0.33
ALOX5 P09917 1/20 0.30
TNFSF11 O14788 1/20 0.30

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
SCHEMBL30748963 0.85 ALOX5 (0.35) PRKCIALOX5
SCHEMBL12611813 0.78 PRKCI (0.30) PRKCI
SCHEMBL17984590 0.77 PRSS1 (0.36)
SCHEMBL27473717 0.77 PRKCI (0.36) PRKCIALOX5
SCHEMBL28007567 0.71 LMNA (0.34) ALOX5
SCHEMBL27887045 0.71 LMNA (0.39) ALOX5
SCHEMBL28018125 0.71 TNFSF11 (0.38) ALOX5TNFSF11
SCHEMBL29861340 0.70 HTT (0.33)
SCHEMBL4944664 0.69 KDM4E (0.39) ALOX5
SCHEMBL27598250 0.69 LMNA (0.33) ALOX5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2370424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-05 EP disclosed