SCHEMBL28441100

SCHEMBL28441100

Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1N1CCN(C(N)=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.61
▸ JAK3 P52333 4/20 0.61
▸ JAK1 P23458 2/20 0.61
▸ TYK2 P29597 2/20 0.61
▸ FLT3 P36888 2/20 0.58
▸ SYK P43405 8/20 0.56
▸ STAT6 P42226 1/20 0.54
▸ ALK Q9UM73 1/20 0.51
▸ MAPK8 P45983 1/20 0.51
▸ MAPK9 P45984 1/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ CSF1R P07333 1/20 0.51
▸ HDAC1 Q13547 1/20 0.51
▸ HDAC6 Q9UBN7 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 0.89 JAK2 (0.57) JAK2FLT3SYKSTAT6MAPK8
SCHEMBL28451613 0.86 JAK2 (0.59) JAK2JAK3JAK1TYK2FLT3
SCHEMBL28447910 0.86 JAK3 (0.65) JAK2JAK3JAK1TYK2SYK
SCHEMBL28897515 0.85 JAK3 (0.62) JAK2JAK3FLT3SYKSTAT6
SCHEMBL22860801 0.84 JAK2 (0.82) JAK2JAK3JAK1TYK2FLT3
SCHEMBL28437333 0.84 JAK2 (0.50) JAK2JAK3JAK1TYK2FLT3
SCHEMBL28441103 0.83 MAPK9 (0.47) JAK2JAK3JAK1TYK2STAT6
SCHEMBL29670005 0.83 JAK2 (0.60) JAK2JAK3JAK1TYK2FLT3
SCHEMBL24426219 0.82 FGFR4 (0.64) JAK2JAK3JAK1TYK2FLT3
SCHEMBL28447917 0.82 MAPK9 (0.44) JAK2JAK3JAK1TYK2FLT3

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
Send feedback