SCHEMBL28897515

SCHEMBL28897515

NC(=O)N1CCN(c2nc(Nc3ccc(N4CCOCC4)cc3)ncc2C(F)(F)F)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.62
▸ JAK2 O60674 2/20 0.59
▸ FLT3 P36888 4/20 0.56
▸ STAT6 P42226 2/20 0.56
▸ AXL P30530 1/20 0.54
▸ KIT P10721 2/20 0.54
▸ LCK P06239 1/20 0.54
▸ FGFR1 P11362 1/20 0.53
▸ SYK P43405 4/20 0.53
▸ DAPK1 P53355 1/20 0.53
▸ PTK2 Q05397 1/20 0.52
▸ LRRK2 Q5S007 1/20 0.51

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
SCHEMBL28442012 0.86 JAK2 (0.57) JAK2FLT3STAT6SYK
SCHEMBL30135476 0.86 JAK3 (0.65) JAK3JAK2FLT3STAT6AXL
SCHEMBL28441100 0.85 JAK2 (0.61) JAK3JAK2FLT3STAT6SYK
SCHEMBL30135524 0.85 JAK3 (0.66) JAK3JAK2FLT3STAT6AXL
SCHEMBL28897517 0.84 LRRK2 (0.53) JAK3JAK2FLT3STAT6KIT
SCHEMBL24426180 0.84 JAK2 (0.77) JAK3JAK2FLT3AXLFGFR1
SCHEMBL28897516 0.80 PTK2 (0.60) JAK3PTK2
SCHEMBL29669890 0.78 JAK2 (0.75) JAK3JAK2FLT3SYK
SCHEMBL28437339 0.78 JAK2 (0.75) JAK3JAK2FLT3SYK
SCHEMBL1020619 0.77 SYK (0.64) SYK

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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