SCHEMBL3348429

SCHEMBL3348429

COc1ncccc1-c1cncc(C#C[Si](C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.44
ABL1 P00519 1/20 0.43
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
CHEK1 O14757 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.38
PDE10A Q9Y233 2/20 0.37
BTK Q06187 1/20 0.36
DHODH Q02127 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
NAAA Q02083 1/20 0.35
DHFR P00374 1/20 0.35

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
SCHEMBL3346852 0.82 CYP11B2 (0.47) GRM5
SCHEMBL3348352 0.81 ALOX5AP (0.41) GRM5ALOX5APFEN1LOXL2BTK
SCHEMBL3347498 0.77 GRM5 (0.41) GRM5ABL1CHEK1LOXL2
SCHEMBL28884696 0.76 GRM5 (0.40) GRM5
SCHEMBL29934042 0.76 GRM5 (0.40) GRM5
SCHEMBL3348980 0.75 GRM5 (0.56) GRM5
SCHEMBL30108242 0.73 CYP2A6 (0.50) ABL1ALOX5APFEN1PDE10ABTK
SCHEMBL29501236 0.70 BTK (0.50) ALOX5APFEN1LOXL2PDE10ABTK
SCHEMBL17165362 0.70 PTGS2 (0.38)
SCHEMBL26426502 0.70 GRM5 (0.52) GRM5BTKCA1CA2

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