SCHEMBL28897517

SCHEMBL28897517

NC(=O)N1CCN(c2nc(Nc3ccccc3N3CCOCC3)ncc2C(F)(F)F)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.53
▸ JAK3 P52333 4/20 0.49
▸ FLT3 P36888 3/20 0.47
▸ AKR1C3 P42330 1/20 0.47
▸ KIT P10721 2/20 0.45
▸ PTK2 Q05397 1/20 0.44
▸ STAT6 P42226 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ LCK P06239 1/20 0.43
▸ ULK1 O75385 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ MAPK9 P45984 2/20 0.42
▸ MAPK10 P53779 2/20 0.42
▸ DAPK1 P53355 1/20 0.41

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
SCHEMBL28442021 0.87 POLB (0.45) STAT6LMNAMAPK9MAPK10
SCHEMBL28441103 0.86 MAPK9 (0.47) JAK3AKR1C3STAT6LMNAJAK2
SCHEMBL28897515 0.84 JAK3 (0.62) LRRK2JAK3FLT3KITPTK2
SCHEMBL28443297 0.84 JAK2 (0.60) LRRK2JAK3FLT3JAK2
SCHEMBL28437345 0.79 JAK2 (0.54) FLT3JAK2
SCHEMBL28447917 0.74 MAPK9 (0.44) JAK3FLT3STAT6JAK2MAPK9
SCHEMBL28434558 0.74 PIK3CD (0.53) AKR1C3
SCHEMBL28451619 0.73 MAPK9 (0.48) LRRK2JAK3LMNAJAK2MAPK9
SCHEMBL17544904 0.72 PTK2 (0.46) AKR1C3PTK2LMNAULK1MAPK9
SCHEMBL29706102 0.72 FLT3 (0.67) LRRK2JAK3FLT3KITPTK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111423384-B 2-aminopyrimidine compounds and application thereof 沈阳药科大学 2021-10-15 — — CN claimed
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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