SCHEMBL28437336

SCHEMBL28437336

CC(=O)Nc1cccc(Nc2ncc(C)c(N3CCN(C(N)=O)CC3)n2)c1N1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.47
▸ JAK3 P52333 3/20 0.47
▸ STAT6 P42226 2/20 0.46
▸ FLT3 P36888 1/20 0.44
▸ FGFR4 P22455 1/20 0.43
▸ JAK1 P23458 2/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ CSF1R P07333 1/20 0.40
▸ MAPK9 P45984 3/20 0.40
▸ MAPK10 P53779 3/20 0.40
▸ MAPK8 P45983 2/20 0.40
▸ ROS1 P08922 1/20 0.39
▸ ALK Q9UM73 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CCNK O75909 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39

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
SCHEMBL28447917 0.89 MAPK9 (0.44) JAK2JAK3STAT6FLT3FGFR4
SCHEMBL28437348 0.86 JAK2 (0.64) JAK2JAK3FLT3FGFR4JAK1
SCHEMBL28441103 0.84 MAPK9 (0.47) JAK2JAK3STAT6FGFR4JAK1
SCHEMBL28437333 0.83 JAK2 (0.50) JAK2JAK3STAT6FLT3JAK1
SCHEMBL28441100 0.81 JAK2 (0.61) JAK2JAK3STAT6FLT3JAK1
SCHEMBL28439360 0.77 JAK2 (0.63) JAK2JAK3FLT3FGFR4JAK1
SCHEMBL28441098 0.76 JAK2 (0.61) JAK2FLT3FGFR4ROS1ALK
SCHEMBL28447910 0.74 JAK3 (0.65) JAK2JAK3JAK1TYK2CSF1R
SCHEMBL28442021 0.74 POLB (0.45) STAT6TYK2PIK3CDPIK3CGMAPK9
SCHEMBL22860801 0.71 JAK2 (0.82) JAK2JAK3FLT3JAK1TYK2

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
CN-111423384-A 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2020-07-17 — — CN claimed
CN-111423384-B 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2021-10-15 — — CN disclosed
CN-111423384-A 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2020-07-17 — — CN disclosed
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