SCHEMBL28420729

SCHEMBL28420729

C=CC(=O)Nc1cccc(-c2c(F)ccc3cnc(Nc4ccc(C5CNCCO5)nc4)nc23)c1.C=CC(=O)Nc1cccc(-c2c(F)ccc3cnc(Nc4ccc(C5CNCCO5)nc4OC)nc23)c1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.43
▸ ITK Q08881 6/20 0.43
▸ FGFR1 P11362 2/20 0.43
▸ KDR P35968 2/20 0.43
▸ BTK Q06187 2/20 0.40
▸ FGFR2 P21802 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
SCHEMBL28385580 0.96 FGFR1 (0.46) EGFRITKFGFR1KDRBTK
SCHEMBL28417575 0.93 EGFR (0.41) EGFRITKFGFR1KDRBTK
SCHEMBL28387192 0.92 BTK (0.46) EGFRITKBTK
SCHEMBL28416830 0.91 EGFR (0.39) EGFRITK
SCHEMBL28384405 0.90 EGFR (0.42) EGFRITKFGFR1KDRBTK
SCHEMBL28394013 0.87 EGFR (0.39) EGFRFGFR1KDR
SCHEMBL28387187 0.86 FGFR1 (0.52) EGFRFGFR1KDRFGFR2
SCHEMBL28383183 0.86 EGFR (0.47) EGFRFGFR1KDR
SCHEMBL28387956 0.85 EGFR (0.45) EGFRFGFR2
SCHEMBL28383464 0.84 BTK (0.47) EGFRBTK

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-111285813-A Chemical entities, compositions, and methods 润新生物公司 2020-06-16 — — CN disclosed
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