SCHEMBL19983727

SCHEMBL19983727

CNCc1cn(Sc2cccnc2)c2cc(Nc3cccc(Cl)c3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
NPC1 O15118 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HTR2C P28335 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CSNK2A1 P68400 3/20 0.34
GAA P10253 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
HIPK2 Q9H2X6 1/20 0.33
CSNK2A2 P19784 2/20 0.33

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
SCHEMBL19984177 0.90 HTR2C (0.39) KMT2AALDH1A1HTR2C
SCHEMBL19983826 0.89 ABCG2 (0.37) KMT2AHTR2CLMNACSNK2A1GAA
SCHEMBL19983733 0.88 SLC6A2 (0.37) MEN1KMT2AHTR2CMAPTCYP1A2
SCHEMBL19984087 0.88 SLC6A2 (0.34) HTR2CSLC6A2SLC6A4
SCHEMBL19984127 0.87 NUDT1 (0.36) CYP1A2CYP2C9CYP2C19SLC6A2SLC6A4
SCHEMBL19983883 0.86 HTR2C (0.32) HTR2CSLC6A2SLC6A4
SCHEMBL19983703 0.85 LCK (0.37)
SCHEMBL19983740 0.85 CYP11B1 (0.35) ALDH1A1MAPTLMNAKDM4ESLC6A2
SCHEMBL19983848 0.85 MAP3K8 (0.32) MEN1KMT2AHTR2CMAPT
SCHEMBL19983893 0.84 HTR2C (0.32) HTR2C

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