SCHEMBL28383464

SCHEMBL28383464

C=CC(=O)Nc1cccc(-c2c(Cl)ccc3cnc(Nc4ccc(C5CNCCO5)nc4)nc23)c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.47
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ EGFR P00533 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
SCHEMBL28387956 0.92 EGFR (0.45) EGFR
SCHEMBL28387192 0.92 BTK (0.46) BTKEGFR
SCHEMBL28385553 0.91 BTK (0.49) BTKEGFR
SCHEMBL28388722 0.90 EGFR (0.45) EGFR
SCHEMBL28383332 0.89 — —
SCHEMBL28887738 0.88 EGFR (0.58) EGFR
SCHEMBL28383465 0.86 BTK (0.42) BTKJAK2JAK1TYK2JAK3
SCHEMBL28417575 0.85 EGFR (0.41) BTKJAK3EGFR
SCHEMBL28387179 0.84 EGFR (0.49) BTKJAK2JAK3EGFR
SCHEMBL28383433 0.83 EGFR (0.47) BTKEGFR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN claimed
CN-109851617-B Chemical entities, compositions, and methods 润新生物公司 2022-08-16 — — CN disclosed
CN-111285813-A Chemical entities, compositions, and methods 润新生物公司 2020-06-16 — — CN disclosed
CN-105682661-B Certain chemical entities, compositions, and methods 润新生物公司 2020-03-27 — — CN disclosed
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