SCHEMBL3345927

SCHEMBL3345927

Cc1cc2nc(CCC#Cc3csc(C)n3)ccn2n1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.36
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL3347660 0.87 KDM4E (0.31) GRM5
SCHEMBL3352981 0.83 GRM5 (0.41) GRM5CYP1A2CYP2D6
SCHEMBL3346856 0.81 GRM5 (0.52) GRM5CYP1A2CYP2D6
SCHEMBL3351704 0.81 KDM4E (0.34) GRM5
SCHEMBL3347055 0.80 GRM5 (0.51) GRM5CYP1A2
SCHEMBL3345855 0.80 KDM4E (0.33) CYP1A2CYP2D6
SCHEMBL3347231 0.80 GRM5 (0.35) GRM5CYP1A2CYP2D6
SCHEMBL3347664 0.80 GRM5 (0.37) GRM5
SCHEMBL3345928 0.79 GRM5 (0.36) GRM5CYP1A2CYP2D6
SCHEMBL3347064 0.79 GRM5 (0.39) GRM5

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-2010063487-A1 PYRAZOLOPYRIMIDINES, A PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICINE MERZ PHARMA GMBH & CO. KGAA (DE) 2010-06-10 WO disclosed