SCHEMBL28415099

SCHEMBL28415099

C=CC(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccc(C5CNCCO5)cc4OC)nc23)c1.C=CC(=O)Nc1ccnc(-c2cccc3cnc(Nc4ccc(N5CCNCC5)cc4OC)nc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 4/20 0.52
▸ EGFR P00533 16/20 0.51
▸ BTK Q06187 2/20 0.48
▸ PLK4 O00444 1/20 0.48
▸ GAK O14976 1/20 0.48
▸ NUAK1 O60285 1/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ FLT3 P36888 1/20 0.48
▸ BLK P51451 1/20 0.48
▸ BMX P51813 1/20 0.48
▸ CTSC P53634 1/20 0.48
▸ PTK2 Q05397 1/20 0.48
▸ ITK Q08881 1/20 0.48
▸ ERBB4 Q15303 1/20 0.48
▸ DCLK3 Q9C098 1/20 0.48
▸ NUAK2 Q9H093 1/20 0.48
▸ EML4 Q9HC35 1/20 0.48
▸ EIF2AK4 Q9P2K8 1/20 0.48
▸ ALK Q9UM73 1/20 0.48
▸ FGFR1 P11362 1/20 0.48

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
SCHEMBL28384151 0.93 ALK (0.47) JAK3EGFRALK
SCHEMBL16515023 0.91 JAK3 (0.61) JAK3EGFRBTKPLK4GAK
SCHEMBL28416821 0.89 FGFR1 (0.63) JAK3EGFRBTKPLK4GAK
SCHEMBL28417562 0.86 EGFR (0.53) JAK3EGFRBTKJAK2FLT3
SCHEMBL29847768 0.86 EGFR (0.68) EGFRBTKFGFR1KDR
SCHEMBL16515005 0.86 EGFR (0.68) EGFRBTKFGFR1KDR
SCHEMBL28383519 0.85 — —
SCHEMBL28383234 0.85 FGFR1 (0.49) FGFR1KDR
SCHEMBL28887740 0.85 FGFR1 (0.53) JAK3EGFRALKFGFR1KDR
SCHEMBL16513541 0.84 EGFR (0.60) JAK3EGFRBTKPLK4GAK

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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