SCHEMBL23312137

SCHEMBL23312137

CCC(=O)N1CCC(n2cc(-c3ccnc(Nc4cnn(C)c4)n3)cn2)C1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 10/20 0.51
▸ JAK2 O60674 10/20 0.50
▸ JAK1 P23458 9/20 0.50
▸ TYK2 P29597 9/20 0.50
▸ JAK3 P52333 2/20 0.50
▸ STAT3 P40763 1/20 0.50
▸ CD69 Q07108 2/20 0.47
▸ CYP3A4 P08684 1/20 0.46
▸ HRH2 P25021 1/20 0.46
▸ CDK7 P50613 1/20 0.46
▸ AAK1 Q2M2I8 1/20 0.46
▸ MAP3K19 Q56UN5 1/20 0.46
▸ CDKL2 Q92772 1/20 0.46
▸ RIOK1 Q9BRS2 1/20 0.46
▸ RIOK2 Q9BVS4 1/20 0.46
▸ BMP2K Q9NSY1 1/20 0.46
▸ MAP3K14 Q99558 1/20 0.45

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
SCHEMBL23276927 0.95 JAK2 (0.52) BTKJAK2JAK1TYK2JAK3
SCHEMBL23277062 0.93 BTK (0.50) BTKJAK2JAK1TYK2JAK3
SCHEMBL23312111 0.93 BTK (0.51) BTKJAK2JAK1TYK2JAK3
SCHEMBL23276815 0.93 JAK2 (0.53) BTKJAK2JAK1TYK2JAK3
SCHEMBL23312174 0.91 JAK1 (0.54) BTKJAK2JAK1TYK2JAK3
SCHEMBL23276995 0.90 BTK (0.51) BTKJAK2JAK1TYK2JAK3
SCHEMBL23276910 0.90 JAK1 (0.56) BTKJAK2JAK1TYK2JAK3
SCHEMBL24807421 0.89 BTK (0.48) BTKJAK2JAK1TYK2JAK3
SCHEMBL23276746 0.88 JAK2 (0.50) BTKJAK2JAK1TYK2JAK3
SCHEMBL24807680 0.88 JAK2 (0.52) 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 2 patents. 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
CN-110862380-A Small molecule compound 嘉兴特科罗生物科技有限公司 2020-03-06 — — CN disclosed
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