SCHEMBL3347283

SCHEMBL3347283

C(#Cc1ccsc1)CCc1ccn2nccc2n1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.36
GRM5 P41594 2/20 0.32
DYRK1A Q13627 1/20 0.32
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL3347219 0.83 GRM5 (0.37) GRM5DYRK1APDE10A
SCHEMBL3347664 0.80 GRM5 (0.37) GRM5
SCHEMBL3347609 0.79 GRM5 (0.33) GRM5DYRK1APDE10A
SCHEMBL3347525 0.79 CHRNB2 (0.46) CYP2A6GRM5
SCHEMBL3346526 0.77 GRM5 (0.37) GRM5DYRK1A
SCHEMBL3346840 0.77 GRM5 (0.36) GRM5DYRK1APDE10A
SCHEMBL3348887 0.77 GRM5 (0.38) GRM5DYRK1A
SCHEMBL3346523 0.77 CYP2A6 (0.35) CYP2A6GRM5DYRK1A
SCHEMBL3346767 0.77 GRM5 (0.46) CYP2A6GRM5DYRK1A
SCHEMBL3347052 0.76 CYP2A6 (0.37) CYP2A6GRM5DYRK1APDE10A

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