SCHEMBL28887740

SCHEMBL28887740

C=CC(=O)Nc1cccc(-c2cccc3cnc(Nc4ccc(C5CNCCO5)cc4OC)nc23)c1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 3/20 0.53
▸ KDR P35968 3/20 0.53
▸ EGFR P00533 14/20 0.52
▸ FGFR2 P21802 3/20 0.49
▸ JAK3 P52333 1/20 0.48
▸ ALK Q9UM73 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
SCHEMBL28416821 0.91 FGFR1 (0.63) FGFR1KDREGFRFGFR2JAK3
SCHEMBL28384151 0.91 ALK (0.47) EGFRJAK3ALK
SCHEMBL28383470 0.90 JAK3 (0.47) EGFRJAK3
SCHEMBL28383183 0.89 EGFR (0.47) FGFR1KDREGFRJAK3
SCHEMBL28387179 0.89 EGFR (0.49) EGFRJAK3ALK
SCHEMBL28385550 0.89 EGFR (0.61) FGFR1KDREGFRFGFR2
SCHEMBL28387187 0.88 FGFR1 (0.52) FGFR1KDREGFRFGFR2
SCHEMBL28382492 0.85 EGFR (0.51) FGFR1KDREGFRFGFR2JAK3
SCHEMBL28887739 0.84 EGFR (0.52) FGFR1KDREGFRFGFR2JAK3
SCHEMBL28394159 0.84 ALK (0.55) ALK

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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