SCHEMBL28384405

SCHEMBL28384405

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.42
▸ FGFR1 P11362 1/20 0.42
▸ KDR P35968 1/20 0.42
▸ JAK3 P52333 3/20 0.39
▸ BTK Q06187 2/20 0.39
▸ ITK Q08881 2/20 0.39
▸ PLK4 O00444 1/20 0.39
▸ GAK O14976 1/20 0.39
▸ NUAK1 O60285 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ FLT3 P36888 1/20 0.39
▸ BLK P51451 1/20 0.39
▸ BMX P51813 1/20 0.39
▸ CTSC P53634 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ ERBB4 Q15303 1/20 0.39
▸ DCLK3 Q9C098 1/20 0.39
▸ NUAK2 Q9H093 1/20 0.39
▸ EML4 Q9HC35 1/20 0.39
▸ EIF2AK4 Q9P2K8 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
SCHEMBL28417575 0.96 EGFR (0.41) EGFRFGFR1KDRJAK3BTK
SCHEMBL28385580 0.93 FGFR1 (0.46) EGFRFGFR1KDRBTKITK
SCHEMBL28386199 0.90 EGFR (0.38) EGFRJAK3BTKITK
SCHEMBL28387187 0.90 FGFR1 (0.52) EGFRFGFR1KDR
SCHEMBL28420729 0.90 EGFR (0.43) EGFRFGFR1KDRBTKITK
SCHEMBL28383470 0.89 JAK3 (0.47) EGFRJAK3
SCHEMBL28387956 0.88 EGFR (0.45) EGFR
SCHEMBL28387958 0.85 EGFR (0.42) EGFRFGFR1KDRJAK3BTK
SCHEMBL28394043 0.85 EGFR (0.47) EGFRBTK
SCHEMBL28394013 0.84 EGFR (0.39) EGFRFGFR1KDR

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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