SCHEMBL28417575

SCHEMBL28417575

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 13/20 0.41
▸ ITK Q08881 3/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ BTK Q06187 1/20 0.40
▸ FGFR1 P11362 1/20 0.39
▸ KDR P35968 1/20 0.39

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
SCHEMBL28384405 0.96 EGFR (0.42) EGFRITKJAK3BTKFGFR1
SCHEMBL28420729 0.93 EGFR (0.43) EGFRITKBTKFGFR1KDR
SCHEMBL28387956 0.93 EGFR (0.45) EGFR
SCHEMBL28385580 0.90 FGFR1 (0.46) EGFRITKBTKFGFR1KDR
SCHEMBL28386199 0.87 EGFR (0.38) EGFRITKJAK3BTK
SCHEMBL28387187 0.87 FGFR1 (0.52) EGFRFGFR1KDR
SCHEMBL28383470 0.86 JAK3 (0.47) EGFRJAK3
SCHEMBL28416830 0.85 EGFR (0.39) EGFRITK
SCHEMBL28418732 0.85 EGFR (0.41) EGFRJAK3
SCHEMBL28387192 0.85 BTK (0.46) 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 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
Send feedback