SCHEMBL23299633

SCHEMBL23299633

Cn1cc(Nc2nccc(C3CCN(C(=O)C4CC4)CC3)n2)cn1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 19/20 0.60
▸ JAK2 O60674 18/20 0.60
▸ TYK2 P29597 18/20 0.60
▸ AURKA O14965 1/20 0.49
▸ JAK3 P52333 7/20 0.49
▸ BTK Q06187 1/20 0.47
▸ KDR P35968 1/20 0.46
▸ STAT1 P42224 1/20 0.46

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
SCHEMBL23277048 0.91 JAK2 (0.54) JAK1JAK2TYK2JAK3BTK
SCHEMBL23276742 0.90 JAK1 (0.53) JAK1JAK2TYK2JAK3BTK
SCHEMBL23276861 0.88 JAK1 (0.51) JAK1JAK2TYK2JAK3BTK
SCHEMBL23299631 0.87 JAK1 (0.61) JAK1JAK2TYK2JAK3KDR
SCHEMBL23277043 0.86 JAK1 (0.49) JAK1JAK2TYK2JAK3BTK
SCHEMBL23276622 0.85 JAK2 (0.48) JAK1JAK2TYK2JAK3BTK
SCHEMBL23276934 0.84 JAK2 (0.52) JAK1JAK2TYK2JAK3KDR
SCHEMBL23277052 0.84 JAK1 (0.61) JAK1JAK2TYK2JAK3
SCHEMBL23299629 0.84 JAK1 (0.53) JAK1JAK2TYK2JAK3BTK
SCHEMBL23277050 0.83 JAK2 (0.49) JAK1JAK2TYK2JAK3KDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021078021-A1 SMALL MOLECULAR COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 — — WO disclosed
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