SCHEMBL23277050

SCHEMBL23277050

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

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.49
▸ JAK1 P23458 19/20 0.49
▸ TYK2 P29597 19/20 0.49
▸ JAK3 P52333 6/20 0.46
▸ STAT3 P40763 1/20 0.44
▸ KDR P35968 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43

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
SCHEMBL23276936 0.86 JAK2 (0.47) JAK2JAK1TYK2JAK3STAT3
SCHEMBL23277048 0.84 JAK2 (0.54) JAK2JAK1TYK2JAK3KDR
SCHEMBL23299633 0.83 JAK1 (0.60) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276885 0.83 TYK2 (0.51) JAK2JAK1TYK2JAK3STAT3
SCHEMBL23276934 0.82 JAK2 (0.52) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276770 0.81 JAK2 (0.53) JAK2JAK1TYK2JAK3STAT3
SCHEMBL23276742 0.81 JAK1 (0.53) JAK2JAK1TYK2JAK3
SCHEMBL23276861 0.81 JAK1 (0.51) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276935 0.81 JAK2 (0.52) JAK2JAK1TYK2JAK3STAT3
SCHEMBL23277059 0.80 JAK2 (0.57) JAK2JAK1TYK2JAK3KDR

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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