SCHEMBL30902158

SCHEMBL30902158

CC(C)(C)OC(=O)N1CCN(c2ncnc3c(F)cc(Br)cc23)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 4/20 0.52
MAP4K4 O95819 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
PRNP P04156 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
PPARG P37231 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NR2E3 Q9Y5X4 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
GRIA1 P42261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GALR2 O43603 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL31029660 1.00 KIT (0.52) KITMAP4K4LMNAMAPTHTT
SCHEMBL31029680 0.88 KIT (0.51) KITMAP4K4LMNAMAPTHTT
SCHEMBL18956123 0.87 KIT (0.52) KITMAP4K4LMNAMAPTHTT
SCHEMBL16647196 0.86 KIT (0.52) KITMAP4K4LMNAMAPTHTT
SCHEMBL21415508 0.83 KIT (0.52) KITMAP4K4LMNAMAPTHTT
SCHEMBL16636962 0.82 KIT (0.50) KITMAP4K4LMNAMAPTHTT
SCHEMBL26967337 0.82 KIT (0.50) KITMAP4K4LMNAMAPTHTT
SCHEMBL29611722 0.82 KIT (0.50) KITMAP4K4LMNAMAPTHTT
SCHEMBL26967418 0.82 KIT (0.48) KITMAP4K4GPR119GRIA1CNR1
SCHEMBL24918229 0.82 KIT (0.49) KITMAP4K4LMNAMAPTHTT

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-117957219-A Pyridine derivative and application thereof 四川汇宇制药股份有限公司 2024-04-30 CN disclosed