SCHEMBL3347007

SCHEMBL3347007

Cc1nc(C#CCOc2ccn3nccc3n2)cs1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 16/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 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
SCHEMBL3347351 0.85 SCN5A (0.31)
SCHEMBL3347064 0.83 GRM5 (0.39) GRM5
SCHEMBL3347309 0.81 GRM5 (0.53) GRM5
SCHEMBL3348468 0.80 GRM5 (0.45) GRM5CYP1A2
SCHEMBL3347020 0.80 CYP2A6 (0.36)
SCHEMBL3346788 0.79 GRM5 (0.32) GRM5
SCHEMBL3352981 0.78 GRM5 (0.41) GRM5CYP1A2CYP2D6
SCHEMBL3348444 0.78 CHRM2 (0.35) GRM5
SCHEMBL3346516 0.78 ALOX5 (0.37) GRM5
SCHEMBL3347130 0.77 CA12 (0.38) CYP1A2

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