SCHEMBL28590771

SCHEMBL28590771

O[n+]1cc2nc(COCc3ccccc3)n(C3CCC3)c2c2ccc(Br)cc21

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.32
JAK1 P23458 3/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
HTR3A P46098 3/20 0.32
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
SLC6A4 P31645 1/20 0.30
AR P10275 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
SCHEMBL21724405 0.89 JAK2 (0.30) JAK2JAK1TYK2JAK3HTR3A
SCHEMBL21724622 0.81 JAK1 (0.38) JAK2JAK1TYK2JAK3
SCHEMBL21724911 0.76 TLR7 (0.46)
SCHEMBL30777927 0.65 JAK1 (0.40) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL21733006 0.63 TLR7 (0.38)
SCHEMBL21566202 0.63 ALDH1A1 (0.36) MAPTALDH1A1L3MBTL1
SCHEMBL19895857 0.61 TSHR (0.42) L3MBTL1
SCHEMBL21724518 0.60 JAK1 (0.53) JAK2JAK1TYK2JAK3
SCHEMBL2657770 0.56 TSHR (0.71) LMNAALDH1A1AR
SCHEMBL22469745 0.55 TSHR (0.62) AR

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
CN-113038989-A Imidazo [4,5-C ] quinoline-derived NLRP3 modulators 先天肿瘤免疫公司 2021-06-25 CN disclosed