SCHEMBL5596779

SCHEMBL5596779

CN(C)CCNc1n[c]c(Br)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.39
EGFR P00533 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
DNM2 P50570 8/20 0.37
HRH3 Q9Y5N1 1/20 0.36
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
HRH4 Q9H3N8 1/20 0.34
GAA P10253 1/20 0.34
ALPG P10696 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
SCHEMBL9960367 0.79 EGFR (0.44) CYP2C19EGFRMKNK1DNM2HRH3
SCHEMBL11463729 0.72 CYP2C19 (0.43) CYP2C19MKNK1DNM2HRH3HRH4
SCHEMBL13733509 0.72 HRH3 (0.47) CYP2C19EGFRMKNK1DNM2HRH3
SCHEMBL12633603 0.72 CYP2C19 (0.43) CYP2C19EGFRMKNK1DNM2HRH3
SCHEMBL5596454 0.71 CYP2C19 (0.44) CYP2C19MKNK1DNM2HRH3HRH4
SCHEMBL933805 0.69 CYP2C19 (0.44) CYP2C19MKNK1DNM2HRH3HRH4
SCHEMBL21513657 0.69 IGF1R (0.44)
SCHEMBL5622381 0.69 ALDH1A1 (0.62) CYP2C19MKNK1DNM2HRH3HRH4
SCHEMBL5505032 0.68 EGFR (0.53) EGFRMKNK1DNM2HRH3P2RX3
SCHEMBL24218536 0.68 HDAC3 (0.57)

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
EP-1696909-B1 BENZOTHIAZOLE DERIVATIVES FOR THE TREATMENT OF DIABETES SERONO LAB (CH) 2007-11-14 EP claimed