SCHEMBL28383486

SCHEMBL28383486

C=CC(=O)Nc1cccc(-c2cccc3c(N)nc(Nc4cccnc4C4CNCCO4)nc23)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.44
▸ FGFR1 P11362 3/20 0.41
▸ KDR P35968 3/20 0.41
▸ EGFR P00533 5/20 0.39
▸ PLCG1 P19174 2/20 0.39
▸ FGFR2 P21802 3/20 0.38
▸ GSK3B P49841 1/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ BTK Q06187 1/20 0.36

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
SCHEMBL28382861 0.91 JAK3 (0.35) JAK3EGFRJAK1JAK2TYK2
SCHEMBL28384354 0.88 PLCG1 (0.41) JAK3EGFRPLCG1BTK
SCHEMBL28887739 0.88 EGFR (0.52) JAK3FGFR1KDREGFRPLCG1
SCHEMBL28393990 0.86 EGFR (0.45) EGFRFGFR2BTK
SCHEMBL28383485 0.85 EGFR (0.44) EGFRFGFR2
SCHEMBL28296963 0.84 CHEK1 (0.37) GSK3B
SCHEMBL28387958 0.81 EGFR (0.42) JAK3FGFR1KDREGFRFGFR2
SCHEMBL28383465 0.80 BTK (0.42) JAK3FGFR1KDREGFRJAK1
SCHEMBL28387194 0.80 FGFR1 (0.45) FGFR1KDREGFRFGFR2BTK
SCHEMBL28388469 0.80 FGFR1 (0.44) JAK3FGFR1KDREGFRFGFR2

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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