SCHEMBL840031

SCHEMBL840031

CCOC[C@](C)(Oc1ncnc2c1cnn2-c1ncc(Cl)cc1C(F)(F)F)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GCK P35557 11/20 0.41
KCNH2 Q12809 8/20 0.41
BRAF P15056 1/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 3/20 0.35
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL838214 0.86 GCK (0.45) GCKKCNH2SMN1; SMN2
SCHEMBL840082 0.81 GCK (0.53) GCKKCNH2
SCHEMBL3299297 0.81 GCK (0.53) GCKKCNH2
SCHEMBL838666 0.81 GCK (0.57) GCKKCNH2
SCHEMBL840028 0.79 GCK (0.54) GCKKCNH2
SCHEMBL840030 0.78 GCK (0.51) GCKKCNH2
SCHEMBL840029 0.77 GCK (0.40) GCKKCNH2
SCHEMBL838403 0.72 GCK (0.54) GCKKCNH2
SCHEMBL838402 0.72 GCK (0.54) GCKKCNH2
SCHEMBL839291 0.72 XDH (0.36) MAPTSMN1; SMN2LMNAHPGDALDH1A1

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
US-8143263-B2 Therapeutic agents ASTRAZENECA AB (SE) 2012-03-27 US disclosed