SCHEMBL28887549

SCHEMBL28887549

Cc1nc(Nc2cnn(CCN(C)C)c2)nc2c1CCN2Cc1ccc(NC(=O)C2CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.41
▸ JAK3 P52333 7/20 0.37
▸ JAK2 O60674 6/20 0.37
▸ JAK1 P23458 6/20 0.37
▸ TYK2 P29597 5/20 0.37
▸ PTGDR2 Q9Y5Y4 2/20 0.37
▸ RET P07949 1/20 0.37
▸ TAS2R8 Q9NYW2 1/20 0.37
▸ KDM4A O75164 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ IGF1R P08069 2/20 0.36
▸ EGFR P00533 2/20 0.36
▸ CTNNB1 P35222 1/20 0.35
▸ TCF7L2 Q9NQB0 1/20 0.35
▸ BTK Q06187 1/20 0.35

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
SCHEMBL28959064 0.91 JAK1 (0.44) HTTJAK3JAK2JAK1TYK2
SCHEMBL28887561 0.91 EGFR (0.41) JAK3JAK2JAK1RETIGF1R
SCHEMBL28887607 0.89 HTT (0.41) HTTJAK3JAK2JAK1TYK2
SCHEMBL28887527 0.89 JAK3 (0.45) HTTJAK3JAK2JAK1TYK2
SCHEMBL28887536 0.89 JAK2 (0.41) HTTJAK3JAK2JAK1TYK2
SCHEMBL28887484 0.88 EGFR (0.48) JAK3JAK2JAK1TYK2EGFR
SCHEMBL28887557 0.87 JAK3 (0.47) JAK3JAK2JAK1RETIGF1R
SCHEMBL28887570 0.82 JAK3 (0.45) JAK3JAK2JAK1TYK2
SCHEMBL28887532 0.81 JAK3 (0.49) JAK3JAK2JAK1TYK2EGFR
SCHEMBL28959093 0.79 JAK3 (0.43) JAK3JAK2JAK1

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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