SCHEMBL30839088

SCHEMBL30839088

NC(=O)N1CCN(c2ccnc(Nc3ccc(N4CCC(N5CCOCC5)CC4)cc3)n2)CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.64
▸ FLT3 P36888 5/20 0.64
▸ JAK1 P23458 3/20 0.54
▸ JAK3 P52333 3/20 0.54
▸ SYK P43405 5/20 0.52
▸ PARP1 P09874 1/20 0.48
▸ FGFR1 P11362 3/20 0.47
▸ AURKA O14965 1/20 0.47
▸ MAPK8 P45983 1/20 0.47
▸ LRRK2 Q5S007 1/20 0.47

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
SCHEMBL30839091 0.93 JAK2 (0.57) JAK2FLT3JAK1JAK3SYK
SCHEMBL30839100 0.93 JAK2 (0.56) JAK2FLT3JAK1JAK3SYK
SCHEMBL29669890 0.90 JAK2 (0.75) JAK2FLT3JAK1JAK3SYK
SCHEMBL28437339 0.90 JAK2 (0.75) JAK2FLT3JAK1JAK3SYK
SCHEMBL30839092 0.90 FLT3 (0.61) JAK2FLT3SYKPARP1
SCHEMBL30839099 0.88 JAK2 (0.51) JAK2FLT3JAK1JAK3SYK
SCHEMBL29235929 0.85 JAK2 (0.84) JAK2FLT3JAK1JAK3LRRK2
SCHEMBL2376107 0.81 SMG1 (0.56) JAK2FLT3JAK1JAK3PARP1
SCHEMBL29235842 0.81 JAK2 (0.60) JAK2FLT3JAK1JAK3MAPK8
SCHEMBL2375403 0.79 PLK4 (0.55) JAK2FLT3JAK1JAK3PARP1

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-118005609-B 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2025-06-17 — — CN claimed
CN-118005609-A 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2024-05-10 — — CN claimed
CN-118005609-B 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2025-06-17 — — CN disclosed
CN-118005609-A 2-Aminopyrimidine compound and application thereof 沈阳药科大学 2024-05-10 — — CN disclosed
Send feedback