SCHEMBL28451613

SCHEMBL28451613

Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1N1CCC(C(N)=O)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 7/20 0.59
▸ JAK3 P52333 5/20 0.59
▸ JAK1 P23458 3/20 0.59
▸ TYK2 P29597 3/20 0.59
▸ SYK P43405 6/20 0.58
▸ IGF1R P08069 1/20 0.52
▸ STAT6 P42226 1/20 0.52
▸ MAPK8 P45983 1/20 0.52
▸ MAPK9 P45984 1/20 0.52
▸ MAPK10 P53779 1/20 0.52
▸ FGFR1 P11362 1/20 0.51
▸ FLT3 P36888 1/20 0.50
▸ PDGFRB P09619 1/20 0.50
▸ PDGFRA P16234 1/20 0.50
▸ CCNB2 O95067 1/20 0.50
▸ CDK1 P06493 1/20 0.50
▸ CDK4 P11802 1/20 0.50
▸ CCNB1 P14635 1/20 0.50
▸ CCND1 P24385 1/20 0.50
▸ CCND2 P30279 1/20 0.50

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
SCHEMBL29670005 0.91 JAK2 (0.60) JAK2JAK3JAK1TYK2SYK
SCHEMBL28435366 0.87 JAK2 (0.56) JAK2JAK3JAK1TYK2SYK
SCHEMBL28441100 0.86 JAK2 (0.61) JAK2JAK3JAK1TYK2SYK
SCHEMBL24426200 0.85 JAK2 (0.62) JAK2JAK3JAK1TYK2FLT3
SCHEMBL28451619 0.84 MAPK9 (0.48) JAK2JAK3JAK1TYK2MAPK8
SCHEMBL28451616 0.80 — —
SCHEMBL24426206 0.79 JAK2 (0.55) JAK2JAK3JAK1TYK2SYK
SCHEMBL22860801 0.77 JAK2 (0.82) JAK2JAK3JAK1TYK2FLT3
SCHEMBL29670019 0.77 JAK2 (0.57) JAK2JAK3JAK1TYK2SYK
SCHEMBL28679840 0.77 JAK2 (0.57) JAK2JAK3JAK1TYK2SYK

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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