SCHEMBL28887519

SCHEMBL28887519

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

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.46
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ IGF1R P08069 1/20 0.40
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ACKR3 P25106 7/20 0.38
▸ PTK2 Q05397 1/20 0.37
▸ ABL1 P00519 2/20 0.36
▸ RIN1 Q13671 2/20 0.36
▸ KDR P35968 1/20 0.36
▸ TEK Q02763 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL28887607 0.91 HTT (0.41) JAK3JAK2JAK1IGF1RPTK2
SCHEMBL28887561 0.90 EGFR (0.41) JAK3JAK2JAK1IGF1RKMT2A
SCHEMBL28887570 0.89 JAK3 (0.45) JAK3JAK2JAK1KMT2AMEN1
SCHEMBL28887524 0.88 JAK3 (0.59) JAK3JAK2JAK1
SCHEMBL28959093 0.88 JAK3 (0.43) JAK3JAK2JAK1ACKR3KDR
SCHEMBL28887516 0.88 JAK3 (0.50) JAK3JAK2JAK1IGF1RACKR3
SCHEMBL29523539 0.87 JAK3 (0.44) JAK3JAK2JAK1IGF1RPTK2
SCHEMBL28887532 0.87 JAK3 (0.49) JAK3JAK2JAK1ACKR3
SCHEMBL28887549 0.81 HTT (0.41) JAK3JAK2JAK1IGF1RABL1
SCHEMBL28959064 0.80 JAK1 (0.44) JAK3JAK2JAK1HTT

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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