SCHEMBL14947852

SCHEMBL14947852

CC(C)(C)c1nc(N)c2nnn(Cc3ccccc3Cl)c2n1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.72
TSHR P16473 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64

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
SCHEMBL14911498 0.88 CNR2 (0.75) CNR2TSHRSMN1; SMN2
SCHEMBL29849130 0.88 CNR2 (0.75) CNR2TSHRSMN1; SMN2
SCHEMBL17731782 0.86 CNR2 (0.72) CNR2TSHRSMN1; SMN2
SCHEMBL17731786 0.86 CNR2 (0.72) CNR2TSHRSMN1; SMN2
SCHEMBL14911654 0.84 CNR2 (0.67) CNR2TSHRSMN1; SMN2
SCHEMBL14911566 0.84 CNR2 (0.71) CNR2TSHRSMN1; SMN2
SCHEMBL17731819 0.84 CNR2 (1.00) CNR2TSHRSMN1; SMN2
SCHEMBL14911443 0.83 SMN1; SMN2 (0.76) CNR2TSHRSMN1; SMN2
SCHEMBL14911363 0.83 CNR2 (0.79) CNR2SMN1; SMN2
SCHEMBL14911630 0.82 CNR2 (0.67) CNR2TSHRSMN1; SMN2

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-2013068306-A1 [1, 2, 3] TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 F. HOFFMANN-LA ROCHE AG (CH) 2013-05-16 WO disclosed