SCHEMBL19983840

SCHEMBL19983840

CNCc1cn(Sc2cccnc2)c2cc(Nc3cccnc3OC)ccc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.36
NAMPT P43490 1/20 0.34
VDR P11473 1/20 0.33
GRM4 Q14833 3/20 0.33
JAK2 O60674 2/20 0.33
PTK2 Q05397 2/20 0.33
JAK3 P52333 1/20 0.33
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
TYK2 P29597 3/20 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
SCHEMBL19983856 0.86 GRM4 (0.34) GRM4
SCHEMBL19984223 0.85 SLC6A2 (0.32) NAMPTJAK2PTK2
SCHEMBL19983874 0.85 CYP19A1 (0.33)
SCHEMBL19983721 0.85 HTR2C (0.32) NAMPT
SCHEMBL19983743 0.84 SRC (0.40)
SCHEMBL19983844 0.84 ALDH1A1 (0.35) NAMPTJAK2PTK2
SCHEMBL19984177 0.83 HTR2C (0.39)
SCHEMBL19983883 0.83 HTR2C (0.32)
SCHEMBL19984203 0.82 ABL1 (0.35) NAMPT
SCHEMBL19983981 0.82 CNR2 (0.34) JAK2PTK2

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