SCHEMBL30902145

SCHEMBL30902145

Cc1cc2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c2cc1Br

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIT P10721 3/20 0.53
ACHE P22303 1/20 0.49
BACE1 P56817 1/20 0.49
MAP4K4 O95819 1/20 0.47
PDGFRB P09619 10/20 0.46
PDGFRA P16234 5/20 0.46
FLT3 P36888 1/20 0.46
TLR9 Q9NR96 2/20 0.45
LMNA P02545 1/20 0.44
ENPP1 P22413 1/20 0.44
TLR7 Q9NYK1 1/20 0.43
GBA1 P04062 1/20 0.43
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
SCHEMBL31029781 1.00 KIT (0.53) KITACHEBACE1MAP4K4PDGFRB
SCHEMBL16637110 0.88 KIT (0.52) KITACHEBACE1MAP4K4PDGFRB
SCHEMBL30902163 0.88 KIT (0.52) KITACHEBACE1MAP4K4PDGFRB
SCHEMBL25656100 0.87 KIT (0.53) KITACHEBACE1MAP4K4PDGFRB
SCHEMBL17030847 0.87 KIT (0.53) KITACHEBACE1MAP4K4PDGFRB
SCHEMBL30826942 0.86 KIT (0.51) KITACHEBACE1MAP4K4PDGFRB
SCHEMBL22029153 0.86 KIT (0.51) KITACHEBACE1MAP4K4PDGFRB
SCHEMBL16637964 0.86 KIT (0.52) KITACHEBACE1MAP4K4PDGFRB
SCHEMBL22028940 0.86 KIT (0.52) KITACHEBACE1MAP4K4PDGFRB
SCHEMBL29611800 0.86 KIT (0.52) KITACHEBACE1MAP4K4PDGFRB

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