SCHEMBL19983850

SCHEMBL19983850

CNCc1cn(Sc2cccnc2)c2cc(Nc3ccc(C#N)cc3Cl)ccc12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.40
BACE2 Q9Y5Z0 1/20 0.36
PDE5A O76074 1/20 0.35
SRC P12931 2/20 0.35
CNR2 P34972 2/20 0.33
GPR6 P46095 1/20 0.33
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
KCNH2 Q12809 3/20 0.31
SLC6A4 P31645 2/20 0.31
SLC6A3 Q01959 1/20 0.31
ABCG2 Q9UNQ0 3/20 0.31
HTR2A P28223 2/20 0.31
BCL6 P41182 1/20 0.30
MAP3K8 P41279 1/20 0.30
ABCB1 P08183 1/20 0.30
ABCC1 P33527 1/20 0.30
PPARG P37231 1/20 0.30
GRM4 Q14833 1/20 0.30

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
SCHEMBL19983733 0.90 SLC6A2 (0.37) SRCCNR2SLC6A4
SCHEMBL19984171 0.88 POLB (0.37) SLC6A3BCL6
SCHEMBL19983883 0.88 HTR2C (0.32) SLC6A4BCL6
SCHEMBL19983740 0.87 CYP11B1 (0.35) LRRK2SRCSLC6A4MAP3K8
SCHEMBL19983736 0.85 MAPT (0.38) ABCG2BCL6
SCHEMBL19984135 0.84 BCL6 (0.40) SRCCNR2ABCG2BCL6
SCHEMBL19983743 0.83 SRC (0.40) PDE5ASRCSLC6A4
SCHEMBL19984127 0.83 NUDT1 (0.36) KCNH2SLC6A4MAP3K8
SCHEMBL19984087 0.83 SLC6A2 (0.34) SLC6A4MAP3K8
SCHEMBL19983727 0.82 ABL1 (0.36) SLC6A4

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed