SCHEMBL3347609

SCHEMBL3347609

C(#Cc1cccs1)CCc1ccn2nccc2n1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.33
DYRK1A Q13627 1/20 0.32
PDE10A Q9Y233 1/20 0.31
MET P08581 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
SCHEMBL3347231 0.81 GRM5 (0.35) GRM5
SCHEMBL3347052 0.80 CYP2A6 (0.37) GRM5DYRK1APDE10AMET
SCHEMBL3347219 0.79 GRM5 (0.37) GRM5DYRK1APDE10AMET
SCHEMBL3347283 0.79 CYP2A6 (0.36) GRM5DYRK1APDE10A
SCHEMBL3348899 0.77 GRM5 (0.36) GRM5
SCHEMBL3352981 0.77 GRM5 (0.41) GRM5PDE10A
SCHEMBL3348444 0.77 CHRM2 (0.35) GRM5DYRK1A
SCHEMBL3351211 0.76 GRM5 (0.56) GRM5DYRK1APDE10AMET
SCHEMBL3346732 0.76 DYRK1A (0.36) GRM5DYRK1APDE10AMET
SCHEMBL3348818 0.76 GRM5 (0.47) GRM5DYRK1A

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 2 patents. 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 claimed
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