SCHEMBL29601287

SCHEMBL29601287

Nc1cnc(N)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.45
MTOR P42345 1/20 0.41
MAP3K12 Q12852 10/20 0.39
TNF P01375 1/20 0.38
PIK3CA P42336 5/20 0.37
PIK3CD O00329 2/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
ULK1 O75385 1/20 0.35

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
SCHEMBL21031807 1.00 GLA (0.45) GLAPOLBGAATSHRMTOR
SCHEMBL18072106 0.80 MTOR (0.40) MTORMAP3K12TNFPIK3CAPIK3CD
SCHEMBL3643010 0.80 ALDH1A1 (0.43) POLBMTORMAP3K12TNFPIK3CA
SCHEMBL25258979 0.78 GLA (0.42) GLAPOLBGAATSHRPIK3CD
SCHEMBL909629 0.78 PIK3CD (0.57) GLAPOLBGAATSHRPIK3CD
SCHEMBL19133107 0.78 GLA (0.42) GLAPOLBGAATSHRPIK3CD
SCHEMBL30254041 0.78 PIK3CD (0.57) GLAPOLBGAATSHRPIK3CD
SCHEMBL19349268 0.78 GAA (0.42) GLAPOLBGAATSHRPIK3CD
SCHEMBL29455898 0.78 GAA (0.42) GLAPOLBGAATSHRPIK3CD
SCHEMBL11890838 0.78 NOS3 (0.54) MTORMAP3K12PIK3CAPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4232449-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES Celgene Corporation (US) 2023-08-30 EP disclosed
CN-115746301-A High-transparency polyimide film containing benzonorbornene structure and preparation method thereof 慧创(东莞)材料技术有限责任公司 2023-03-07 CN disclosed
WO-2022087326-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES CELGENE CORPORATION (US) 2022-04-28 WO disclosed