SCHEMBL29050433

SCHEMBL29050433

Cn1ncc(OCc2ccccc2)c1-c1ccc(N)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.45
MAP4K4 O95819 1/20 0.42
MAPK14 Q16539 2/20 0.40
LTA4H P09960 1/20 0.40
PKM P14618 1/20 0.40
FEN1 P39748 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3CA P42336 2/20 0.39
PIK3CB P42338 2/20 0.39
PIK3CG P48736 2/20 0.39
PRKDC P78527 2/20 0.39
ABL1 P00519 1/20 0.39
HCK P08631 1/20 0.39
SRC P12931 1/20 0.39
KDR P35968 1/20 0.39
MTOR P42345 1/20 0.39
EPHB4 P54760 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
FYN P06241 1/20 0.39
HTR2A P28223 1/20 0.38

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
SCHEMBL30231657 1.00 ALOX5AP (0.45) ALOX5APMAP4K4MAPK14LTA4HPKM
SCHEMBL21051562 0.75 PDE10A (0.53) PKMPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21232987 0.73 L3MBTL1 (0.51) MAPK14LTA4HPKMATP4AATP4B
SCHEMBL30453947 0.73 MAP4K4 (0.68) ALOX5APMAP4K4MAPK14LTA4HFEN1
SCHEMBL487917 0.73 MAP4K4 (0.68) ALOX5APMAP4K4MAPK14LTA4HFEN1
SCHEMBL1758500 0.72 MAPK14 (0.44) MAP4K4MAPK14LTA4HPKMHTR2A
SCHEMBL30230864 0.71 NOS3 (0.42) MAP4K4LTA4HPIK3CDMAPTCYP11B2
SCHEMBL30230970 0.70 PIK3CD (0.49) MAP4K4LTA4HPIK3CDMAPK1
SCHEMBL22952627 0.70 MAPK14 (0.44) ALOX5APMAPK14LTA4HPKMMTOR
SCHEMBL6175616 0.69 HTR2A (0.56) ALOX5APFEN1HTR2AHTR2CCYP19A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116568676-A IL-17A modulators 赛诺菲 2023-08-08 CN disclosed
CN-116547275-A IL-17A modulators 赛诺菲 2023-08-04 CN disclosed