SCHEMBL28887570

SCHEMBL28887570

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

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 9/20 0.45
▸ TYK2 P29597 10/20 0.43
▸ JAK1 P23458 9/20 0.43
▸ JAK2 O60674 8/20 0.43
▸ TTK P33981 1/20 0.43
▸ KMT2A Q03164 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ ACKR3 P25106 2/20 0.39
▸ KDR P35968 1/20 0.39
▸ TEK Q02763 1/20 0.39
▸ BRD4 O60885 1/20 0.38

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
SCHEMBL28887561 0.92 EGFR (0.41) JAK3JAK1JAK2KMT2AMEN1
SCHEMBL28887532 0.92 JAK3 (0.49) JAK3TYK2JAK1JAK2TTK
SCHEMBL28959093 0.91 JAK3 (0.43) JAK3JAK1JAK2TTKACKR3
SCHEMBL28959064 0.91 JAK1 (0.44) JAK3TYK2JAK1JAK2
SCHEMBL28887519 0.89 JAK3 (0.46) JAK3JAK1JAK2KMT2AMEN1
SCHEMBL28887608 0.88 JAK3 (0.59) JAK3TYK2JAK1JAK2TTK
SCHEMBL28887548 0.87 JAK3 (0.51) JAK3TYK2JAK1JAK2TTK
SCHEMBL28887556 0.85 JAK1 (0.43) JAK3TYK2JAK1JAK2TTK
SCHEMBL28887549 0.82 HTT (0.41) JAK3TYK2JAK1JAK2
SCHEMBL28887527 0.82 JAK3 (0.45) JAK3TYK2JAK1JAK2TTK

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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