SCHEMBL3348468

SCHEMBL3348468

C(#Cc1ccccn1)COc1ccn2nccc2n1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.45
ALOX5 P09917 1/20 0.38
PDE10A Q9Y233 1/20 0.35
KCNH2 Q12809 1/20 0.35
DYRK1A Q13627 1/20 0.33
TGFBR1 P36897 1/20 0.32
SCN5A Q14524 1/20 0.32
CYP1A2 P05177 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
SCHEMBL3347130 0.84 CA12 (0.38) ALOX5DYRK1ASCN5ACYP1A2
SCHEMBL3347309 0.84 GRM5 (0.53) GRM5TGFBR1
SCHEMBL3347060 0.82 GRM5 (0.35) GRM5TGFBR1SCN5A
SCHEMBL3347237 0.82 GRM5 (0.46) GRM5ALOX5PDE10A
SCHEMBL3346788 0.81 GRM5 (0.32) GRM5DYRK1ATGFBR1SCN5A
SCHEMBL3346516 0.80 ALOX5 (0.37) GRM5ALOX5DYRK1ATGFBR1SCN5A
SCHEMBL3345871 0.80 CHRM2 (0.35) GRM5DYRK1ATGFBR1SCN5A
SCHEMBL3346865 0.80 CHRM2 (0.35) GRM5DYRK1ASCN5A
SCHEMBL3347007 0.80 GRM5 (0.43) GRM5CYP1A2
SCHEMBL3347351 0.79 SCN5A (0.31) SCN5A

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