SCHEMBL3352981

SCHEMBL3352981

Cc1nc(C#CCCc2ccn3nccc3n2)cs1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 17/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
PDE10A Q9Y233 1/20 0.39

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
SCHEMBL3353377 0.84 GRM5 (0.36) GRM5PDE10A
SCHEMBL3345927 0.83 GRM5 (0.36) GRM5CYP1A2CYP2D6
SCHEMBL3345876 0.81 GRM5 (0.53) GRM5CYP1A2CYP2D6PDE10A
SCHEMBL3347052 0.79 CYP2A6 (0.37) GRM5PDE10A
SCHEMBL3347361 0.79 GRM5 (0.36) GRM5PDE10A
SCHEMBL3347007 0.78 GRM5 (0.43) GRM5CYP1A2CYP2D6
SCHEMBL3351211 0.78 GRM5 (0.56) GRM5CYP1A2PDE10A
SCHEMBL3347669 0.77 PDE10A (0.35) GRM5PDE10A
SCHEMBL3347609 0.77 GRM5 (0.33) GRM5PDE10A
SCHEMBL102385 0.77 GRM5 (0.47) GRM5PDE10A

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