SCHEMBL3351358

SCHEMBL3351358

C[Si](C)(C)C#Cc1cc(F)cc(-c2cccnc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.40
GRM5 P41594 6/20 0.37
CYP11B1 P15538 1/20 0.35
MAPT P10636 2/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
DHODH Q02127 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CSNK1D P48730 1/20 0.34
GSK3B P49841 1/20 0.34
CSNK1G2 P78368 1/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
CTSD P07339 2/20 0.33
BACE1 P56817 2/20 0.33
BACE2 Q9Y5Z0 2/20 0.33

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 0.84 CYP11B2 (0.44) CYP11B2MAPTGABRA1GABRG2GABRB3
SCHEMBL3348352 0.84 ALOX5AP (0.41) GRM5DHODH
SCHEMBL3346852 0.82 CYP11B2 (0.47) CYP11B2GRM5CYP11B1MAPTCSNK1A1
SCHEMBL3346922 0.74 GRM5 (0.39) CYP11B2GRM5CSNK1A1CSNK1DGSK3B
SCHEMBL852757 0.73 GRM5 (0.43) GRM5
SCHEMBL29405768 0.69 KDM4E (0.36) CYP11B2GRM5MAPT
SCHEMBL1044041 0.69 KDM4E (0.36) CYP11B2GRM5MAPT
SCHEMBL29889802 0.67 PDE2A (0.46) CYP11B2GRM5CYP11B1MAPTPDE2A
SCHEMBL3348839 0.67 GRM5 (0.49) GRM5
SCHEMBL30808505 0.67 GRM5 (0.49) GRM5

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