SCHEMBL29127339

SCHEMBL29127339

Cc1nc(Nc2ccc(N3CCOCC3)cc2)nc2c1CCN2Cc1cccc(NC#N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 3/20 0.52
▸ TP53 P04637 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ JAK2 O60674 7/20 0.46
▸ IGF1R P08069 1/20 0.45
▸ JAK1 P23458 6/20 0.44
▸ JAK3 P52333 4/20 0.43
▸ BRD4 O60885 2/20 0.41
▸ TYK2 P29597 2/20 0.40
▸ STAT3 P40763 1/20 0.40
▸ KARS1 Q15046 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ TLR9 Q9NR96 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 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
SCHEMBL29127336 0.90 STAT6 (0.54) STAT6TP53MAPTMAPK1JAK2
SCHEMBL28887598 0.88 HPGD (0.41) STAT6TP53MAPTMAPK1JAK2
SCHEMBL28887550 0.84 JAK3 (0.57) JAK2JAK1JAK3TYK2
SCHEMBL28887505 0.84 STAT6 (0.48) STAT6TP53MAPTMAPK1JAK2
SCHEMBL28887501 0.83 JAK3 (0.56) STAT6JAK2JAK1JAK3TYK2
SCHEMBL28887603 0.82 JAK2 (0.51) MAPK1JAK2IGF1RJAK1JAK3
SCHEMBL29127340 0.80 JAK2 (0.33) STAT6JAK2JAK1JAK3CDK1
SCHEMBL28887528 0.80 STAT6 (0.44) STAT6MAPTMAPK1JAK2JAK1
SCHEMBL28887556 0.78 JAK1 (0.43) JAK2JAK1JAK3TYK2
SCHEMBL28887601 0.77 JAK1 (0.55) JAK2IGF1RJAK1JAK3TYK2

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 2 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-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
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