SCHEMBL16976367

SCHEMBL16976367

O=Nc1ccc2c(c1)CNCCS2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 3/20 0.55
KCNH2 Q12809 1/20 0.55
PNMT P11086 2/20 0.36
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
NOS3 P29474 1/20 0.32

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
SCHEMBL2062318 0.75 RYR2 (0.59) RYR2KCNH2PNMTMEN1ALDH1A1
SCHEMBL14691898 0.75 RYR2 (0.59) RYR2KCNH2PNMTMEN1ALDH1A1
SCHEMBL8134941 0.75 RYR2 (0.59) RYR2KCNH2PNMTMEN1ALDH1A1
SCHEMBL28461427 0.75 RYR2 (0.59) RYR2KCNH2PNMT
SCHEMBL2600211 0.75 RYR2 (0.64) RYR2KCNH2PNMTMEN1KMT2A
SCHEMBL8244272 0.74 RYR2 (0.55) RYR2KCNH2PNMTMEN1ALDH1A1
SCHEMBL10263631 0.73 PNMT (0.63) PNMTNOS3
SCHEMBL28137126 0.73 ASIC3 (0.55) PNMT
SCHEMBL2062141 0.72 PNMT (0.59) RYR2KCNH2PNMTALDH1A1
SCHEMBL10289477 0.71 PNMT (0.43) PNMTALDH1A1NOS3

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-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed