SCHEMBL28385580

SCHEMBL28385580

C=CC(=O)Nc1cccc(-c2c(F)ccc3cnc(Nc4ccc(C5CNCCO5)nc4OC)nc23)c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 3/20 0.46
▸ KDR P35968 3/20 0.46
▸ EGFR P00533 15/20 0.43
▸ FGFR2 P21802 2/20 0.42
▸ ITK Q08881 2/20 0.40
▸ BTK Q06187 1/20 0.40

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
SCHEMBL28420729 0.96 EGFR (0.43) FGFR1KDREGFRFGFR2ITK
SCHEMBL28384405 0.93 EGFR (0.42) FGFR1KDREGFRITKBTK
SCHEMBL28394013 0.90 EGFR (0.39) FGFR1KDREGFR
SCHEMBL28387187 0.90 FGFR1 (0.52) FGFR1KDREGFRFGFR2
SCHEMBL28417575 0.90 EGFR (0.41) FGFR1KDREGFRITKBTK
SCHEMBL28383183 0.89 EGFR (0.47) FGFR1KDREGFR
SCHEMBL28387192 0.87 BTK (0.46) EGFRITKBTK
SCHEMBL28416830 0.87 EGFR (0.39) EGFRITK
SCHEMBL28387194 0.85 FGFR1 (0.45) FGFR1KDREGFRFGFR2ITK
SCHEMBL28383433 0.84 EGFR (0.47) EGFRITKBTK

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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