SCHEMBL23276865

SCHEMBL23276865

C[C@@H]1CN(c2ccnc(Nc3cnn(C)c3)n2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 19/20 0.54
▸ JAK1 P23458 19/20 0.54
▸ TYK2 P29597 19/20 0.54
▸ JAK3 P52333 7/20 0.51
▸ MAP4K4 O95819 1/20 0.51
▸ KDR P35968 1/20 0.51
▸ STAT1 P42224 1/20 0.51

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
SCHEMBL23277025 1.00 JAK2 (0.54) JAK2JAK1TYK2JAK3MAP4K4
SCHEMBL23276867 1.00 JAK2 (0.54) JAK2JAK1TYK2JAK3MAP4K4
SCHEMBL23276700 0.89 TYK2 (0.54) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276698 0.89 TYK2 (0.54) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276849 0.89 TYK2 (0.54) JAK2JAK1TYK2JAK3KDR
SCHEMBL23277045 0.87 JAK2 (0.60) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276949 0.83 JAK2 (0.61) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276947 0.83 JAK2 (0.61) JAK2JAK1TYK2JAK3KDR
SCHEMBL23276596 0.82 JAK1 (0.69) JAK2JAK1TYK2JAK3KDR
SCHEMBL23299620 0.81 TYK2 (0.59) JAK2JAK1TYK2JAK3

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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