SCHEMBL12264875

SCHEMBL12264875

Cc1nc(Cl)c2nc(-c3ccccc3Cl)n(CC(C)(C)C)c2n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 20/20 0.57
CNR1 P21554 11/20 0.49

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
SCHEMBL2511731 0.90 CNR2 (0.70) CNR2CNR1
SCHEMBL2510645 0.88 CNR2 (0.53) CNR2CNR1
SCHEMBL2510656 0.88 CNR2 (0.56) CNR2CNR1
SCHEMBL2511405 0.82 CNR2 (0.70) CNR2CNR1
SCHEMBL12284589 0.82 CNR2 (0.55) CNR2CNR1
SCHEMBL2552088 0.81 CNR2 (0.48) CNR2CNR1
SCHEMBL2554012 0.80 CNR2 (0.53) CNR2CNR1
SCHEMBL2506054 0.80 CNR2 (0.67) CNR2CNR1
SCHEMBL2548948 0.79 CNR2 (0.49) CNR2CNR1
SCHEMBL14321181 0.79 CNR2 (0.52) CNR2CNR1

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
WO-2011123372-A1 PURINE COMPOUNDS ELI LILLY AND COMPANY (US) 2011-10-06 WO disclosed