SCHEMBL23276732

SCHEMBL23276732

Cn1cc(Nc2nccc(N3CCC(N)(CC#N)CC3)n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 20/20 0.62
▸ JAK1 P23458 20/20 0.62
▸ TYK2 P29597 20/20 0.62
▸ JAK3 P52333 8/20 0.58
▸ STAT3 P40763 1/20 0.52

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
SCHEMBL23276950 0.88 TYK2 (0.56) JAK2JAK1TYK2JAK3
SCHEMBL23276875 0.84 JAK2 (0.59) JAK2JAK1TYK2JAK3
SCHEMBL23276643 0.82 JAK1 (0.57) JAK2JAK1TYK2JAK3
SCHEMBL23299641 0.81 JAK1 (0.57) JAK2JAK1TYK2JAK3
SCHEMBL23299630 0.80 JAK2 (0.66) JAK2JAK1TYK2JAK3
SCHEMBL23276788 0.80 JAK2 (0.54) JAK2JAK1TYK2JAK3
SCHEMBL23276781 0.79 JAK1 (0.58) JAK2JAK1TYK2JAK3
SCHEMBL19649838 0.77 TYK2 (1.00) JAK2JAK1TYK2JAK3
SCHEMBL17512703 0.77 TYK2 (1.00) JAK2JAK1TYK2JAK3
SCHEMBL23276749 0.77 JAK2 (0.57) 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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