SCHEMBL28322919

SCHEMBL28322919

COc1ccc(C(=O)N[C@@H]2CCCN(c3cncc(Nc4ccc(C5CCNCC5)c(F)c4)n3)C2)cc1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.75
▸ LCK P06239 9/20 0.75
▸ BTK Q06187 10/20 0.50
▸ EGFR P00533 2/20 0.49

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
SCHEMBL28096781 0.86 JAK3 (0.59) JAK3LCKBTKEGFR
SCHEMBL28322914 0.86 JAK3 (0.59) JAK3LCKBTKEGFR
SCHEMBL16763728 0.86 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL16764347 0.86 JAK3 (1.00) JAK3LCKBTKEGFR
SCHEMBL28324045 0.86 BTK (0.64) JAK3LCKBTKEGFR
SCHEMBL28322931 0.86 BTK (0.64) JAK3LCKBTKEGFR
SCHEMBL28322911 0.81 BTK (0.72) JAK3LCKBTKEGFR
SCHEMBL28322916 0.80 JAK3 (0.72) JAK3LCKBTKEGFR
SCHEMBL28323056 0.79 BTK (0.75) JAK3LCKBTKEGFR
SCHEMBL28324056 0.78 JAK3 (0.62) JAK3LCKBTKEGFR

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
CN-105960404-B The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2019-09-03 — — CN claimed
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