SCHEMBL23312107

SCHEMBL23312107

Cn1cc(Nc2nccc(-c3cnn(C4CCN(C(=O)CC(C)(F)F)CC4)c3)n2)cn1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 15/20 0.51
▸ JAK2 O60674 2/20 0.48
▸ JAK1 P23458 2/20 0.48
▸ TYK2 P29597 2/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ STAT3 P40763 1/20 0.48
▸ CD69 Q07108 3/20 0.47
▸ MAP3K14 Q99558 1/20 0.45
▸ IGF1R P08069 1/20 0.45
▸ ACVR1 Q04771 1/20 0.44

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
SCHEMBL24807690 0.94 BTK (0.50) BTKJAK2JAK1TYK2JAK3
SCHEMBL23276995 0.89 BTK (0.51) BTKJAK2JAK1TYK2JAK3
SCHEMBL24807680 0.89 JAK2 (0.52) BTKJAK2JAK1TYK2JAK3
SCHEMBL23276927 0.89 JAK2 (0.52) BTKJAK2JAK1TYK2JAK3
SCHEMBL23276746 0.87 JAK2 (0.50) BTKJAK2JAK1TYK2JAK3
SCHEMBL23276817 0.86 JAK1 (0.57) BTKJAK2JAK1TYK2JAK3
SCHEMBL23312193 0.86 JAK2 (0.51) BTKJAK2JAK1TYK2JAK3
SCHEMBL24806499 0.85 JAK2 (0.54) BTKJAK2JAK1TYK2JAK3
SCHEMBL23312125 0.85 JAK2 (0.48) BTKJAK2JAK1TYK2JAK3
SCHEMBL23276656 0.85 BTK (0.51) BTKJAK2JAK1TYK2JAK3

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-2021078022-A1 SMALL MOLECULE COMPOUND 嘉兴特科罗生物科技有限公司 2021-04-29 — — WO disclosed
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