SCHEMBL23276950

SCHEMBL23276950

CCC1(N)CCN(c2ccnc(Nc3cnn(C)c3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 20/20 0.56
▸ JAK2 O60674 19/20 0.56
▸ JAK1 P23458 19/20 0.56
▸ JAK3 P52333 5/20 0.54
▸ KDR P35968 1/20 0.52
▸ STAT1 P42224 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
SCHEMBL23276875 0.88 JAK2 (0.59) TYK2JAK2JAK1JAK3KDR
SCHEMBL23276732 0.88 JAK2 (0.62) TYK2JAK2JAK1JAK3
SCHEMBL23276749 0.84 JAK2 (0.57) TYK2JAK2JAK1JAK3KDR
SCHEMBL23299669 0.81 JAK2 (0.61) TYK2JAK2JAK1JAK3KDR
SCHEMBL23276839 0.80 JAK2 (0.56) TYK2JAK2JAK1JAK3KDR
SCHEMBL23299641 0.80 JAK1 (0.57) TYK2JAK2JAK1JAK3KDR
SCHEMBL23276971 0.80 JAK2 (0.60) TYK2JAK2JAK1JAK3KDR
SCHEMBL23276888 0.79 JAK2 (0.57) TYK2JAK2JAK1JAK3
SCHEMBL23299650 0.79 TYK2 (0.60) TYK2JAK2JAK1JAK3KDR
SCHEMBL28657664 0.79 JAK1 (0.70) TYK2JAK2JAK1JAK3KDR

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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