SCHEMBL28959093

SCHEMBL28959093

Cc1nc(Nc2cnn(C)c2)nc2c1CCN2Cc1cccc(NC(=O)C2CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 6/20 0.43
▸ KDR P35968 1/20 0.43
▸ TEK Q02763 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ TTK P33981 1/20 0.42
▸ ACKR3 P25106 8/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ CRHBP P24387 1/20 0.39
▸ CRHR2 Q13324 1/20 0.39

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
SCHEMBL28887570 0.91 JAK3 (0.45) JAK3KDRTEKJAK2JAK1
SCHEMBL28887536 0.90 JAK2 (0.41) JAK3KDRTEKJAK2JAK1
SCHEMBL28887561 0.89 EGFR (0.41) JAK3KDRTEKJAK2JAK1
SCHEMBL28887532 0.89 JAK3 (0.49) JAK3JAK2JAK1TTKACKR3
SCHEMBL28887519 0.88 JAK3 (0.46) JAK3KDRTEKJAK2JAK1
SCHEMBL28887510 0.87 JAK3 (0.58) JAK3JAK2JAK1TTK
SCHEMBL28959068 0.86 JAK3 (0.54) JAK3JAK2JAK1TTKACKR3
SCHEMBL28887505 0.84 STAT6 (0.48) JAK3SMN1; SMN2JAK2JAK1TTK
SCHEMBL28887603 0.83 JAK2 (0.51) JAK3KDRJAK2JAK1TTK
SCHEMBL29522988 0.82 MAPK3 (0.39) JAK3KDRJAK2JAK1

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-114292274-B Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2023-12-19 — — CN claimed
CN-114292274-A Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2022-04-08 — — CN claimed
CN-114292274-B Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2023-12-19 — — CN disclosed
CN-114292274-A Pyrrolo [2,3-d ] pyrimidine derivatives as JAK kinase inhibitors, and preparation method and application thereof 中国药科大学 2022-04-08 — — CN disclosed
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