SCHEMBL28437333

SCHEMBL28437333

CC(=O)Nc1cc(Nc2ncc(C)c(N3CCN(C(N)=O)CC3)n2)ccc1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 9/20 0.50
▸ JAK3 P52333 5/20 0.50
▸ JAK1 P23458 4/20 0.50
▸ TYK2 P29597 4/20 0.50
▸ MAPK9 P45984 3/20 0.49
▸ MAPK10 P53779 3/20 0.49
▸ FLT3 P36888 1/20 0.47
▸ SYK P43405 5/20 0.46
▸ STAT6 P42226 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPK8 P45983 1/20 0.43
▸ POLB P06746 1/20 0.43

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
SCHEMBL28437346 0.88 JAK2 (0.64) JAK2JAK3JAK1TYK2MAPK9
SCHEMBL28447910 0.87 JAK3 (0.65) JAK2JAK3JAK1TYK2MAPK9
SCHEMBL28441100 0.84 JAK2 (0.61) JAK2JAK3JAK1TYK2MAPK9
SCHEMBL28441103 0.83 MAPK9 (0.47) JAK2JAK3JAK1TYK2MAPK9
SCHEMBL28437336 0.83 JAK2 (0.47) JAK2JAK3JAK1TYK2MAPK9
SCHEMBL28437334 0.80 JAK2 (0.42) JAK2JAK3JAK1TYK2
SCHEMBL24426201 0.77 JAK2 (0.64) JAK2JAK3JAK1TYK2MAPK9
SCHEMBL24426203 0.76 JAK2 (0.63) JAK2JAK3JAK1TYK2MAPK9
SCHEMBL28443652 0.75 JAK2 (0.64) JAK2JAK3FLT3ALDH1A1POLB
SCHEMBL28447917 0.75 MAPK9 (0.44) JAK2JAK3JAK1TYK2MAPK9

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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