SCHEMBL28447910

SCHEMBL28447910

Cc1cnc(Nc2ccc(N3CCOCC3)c(F)c2)nc1N1CCN(C(N)=O)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.65
▸ JAK1 P23458 3/20 0.65
▸ JAK2 O60674 2/20 0.65
▸ TYK2 P29597 1/20 0.65
▸ MAPK9 P45984 2/20 0.55
▸ MAPK10 P53779 2/20 0.55
▸ SYK P43405 5/20 0.53
▸ AXL P30530 2/20 0.50
▸ BRD4 O60885 2/20 0.48
▸ BTK Q06187 1/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MTOR P42345 2/20 0.47
▸ CSF1R P07333 1/20 0.47
▸ CDK4 P11802 1/20 0.47
▸ CDK6 Q00534 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
SCHEMBL28437333 0.87 JAK2 (0.50) JAK3JAK1JAK2TYK2MAPK9
SCHEMBL28441100 0.86 JAK2 (0.61) JAK3JAK1JAK2TYK2MAPK9
SCHEMBL24426201 0.86 JAK2 (0.64) JAK3JAK1JAK2TYK2MAPK9
SCHEMBL28441103 0.81 MAPK9 (0.47) JAK3JAK1JAK2TYK2MAPK9
SCHEMBL28447917 0.80 MAPK9 (0.44) JAK3JAK1JAK2TYK2MAPK9
SCHEMBL28650663 0.79 JAK1 (1.00) JAK3JAK1JAK2TYK2
SCHEMBL28447915 0.79 JAK2 (0.45) JAK3JAK1JAK2TYK2
SCHEMBL13311507 0.77 JAK2 (0.57) JAK3JAK1JAK2TYK2SYK
SCHEMBL2551874 0.75 CSF1R (0.56) JAK3JAK1JAK2TYK2MAPK9
SCHEMBL28442012 0.75 JAK2 (0.57) JAK2MAPK9MAPK10SYKCSF1R

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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