SCHEMBL28996013

SCHEMBL28996013

Nc1ccnc(-c2cnccn2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 2/20 0.52
HSP90AA1 P07900 1/20 0.43
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
PIM1 P11309 5/20 0.41
MEN1 O00255 2/20 0.37
PSIP1 O75475 1/20 0.37
AXL P30530 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL314105 0.84 ASIC3 (0.67) ASIC3HSP90AA1MEN1ALDH1A1LMNA
SCHEMBL9151109 0.82 ASIC3 (0.64) ASIC3HSP90AA1MEN1ALDH1A1LMNA
SCHEMBL9132100 0.82 ASIC3 (0.64) ASIC3HSP90AA1MEN1ALDH1A1LMNA
SCHEMBL9132675 0.82 ASIC3 (0.64) ASIC3HSP90AA1MEN1ALDH1A1LMNA
SCHEMBL20911220 0.81 HSP90AA1 (0.44) ASIC3HSP90AA1PIK3CDPIK3CAPIK3CB
SCHEMBL30252597 0.81 HSP90AA1 (0.44) ASIC3HSP90AA1PIK3CDPIK3CAPIK3CB
Dalfampridine SCHEMBL9979017 0.80 MAPT (0.62) ASIC3HSP90AA1MEN1ALDH1A1LMNA
SCHEMBL902145 0.78 KARS1 (0.44) ASIC3HSP90AA1PIK3CDPIK3CAPIK3CB
SCHEMBL5321481 0.77 NISCH (0.43) HSP90AA1PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL20169521 0.77 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG

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-109651358-B 4-aminopyridine derivative, pharmaceutical composition, preparation method and application thereof 上海迪诺医药科技有限公司 2023-04-07 CN disclosed