SCHEMBL3346852

SCHEMBL3346852

C[Si](C)(C)C#Cc1cncc(-c2cccnc2F)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.47
CYP11B1 P15538 1/20 0.47
CHRNB2 P17787 1/20 0.43
CHRNA6 Q15825 1/20 0.43
MAPT P10636 3/20 0.41
GRM5 P41594 5/20 0.37
CSNK1A1 P48729 1/20 0.35
CSNK1D P48730 1/20 0.35
GSK3B P49841 1/20 0.35
CSNK1G2 P78368 1/20 0.35
BACE1 P56817 2/20 0.35
KCNH2 Q12809 1/20 0.35
CTSD P07339 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34

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
SCHEMBL3581826 0.83 CYP11B2 (0.44) CYP11B2MAPTBACE1CTSDBACE2
SCHEMBL3351358 0.82 CYP11B2 (0.40) CYP11B2CYP11B1MAPTGRM5CSNK1A1
SCHEMBL3348429 0.82 GRM5 (0.44) GRM5
SCHEMBL28884696 0.78 GRM5 (0.40) GRM5
SCHEMBL29934042 0.78 GRM5 (0.40) GRM5
SCHEMBL3348980 0.77 GRM5 (0.56) CYP11B2CYP11B1GRM5
SCHEMBL22531723 0.70 GRM5 (0.38) GRM5
SCHEMBL12938274 0.69 GRM5 (0.39) CHRNB2GRM5
SCHEMBL29889779 0.69 CYP2A6 (0.55) CYP11B2CYP11B1MAPT
SCHEMBL15730135 0.69 CYP11B2 (0.48) CYP11B2CYP11B1

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 1 patent. 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 disclosed