SCHEMBL28387170

SCHEMBL28387170

C=CC(=O)Nc1ccnc(-c2c(CC)ccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 3/20 0.37
▸ EGFR P00533 3/20 0.37
▸ BTK Q06187 1/20 0.37
▸ ITK Q08881 1/20 0.37
▸ PDGFRA P16234 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ KDR P35968 1/20 0.34

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
SCHEMBL28385472 0.92 BTK (0.42) JAK3EGFRBTKITKPDGFRA
SCHEMBL28388723 0.91 FGFR1 (0.41) JAK3EGFRBTKITKFGFR1
SCHEMBL28385548 0.91 BTK (0.38) JAK3EGFRBTKITKFGFR1
SCHEMBL28383333 0.91 JAK3 (0.39) JAK3EGFRBTKITK
SCHEMBL28388017 0.88 — —
SCHEMBL28387169 0.87 — —
SCHEMBL28382401 0.87 FGFR1 (0.42) JAK3EGFRBTKITKFGFR1
SCHEMBL28387958 0.84 EGFR (0.42) JAK3EGFRBTKITKPDGFRA
SCHEMBL28387194 0.82 FGFR1 (0.45) EGFRBTKITKFGFR1KDR
SCHEMBL28383465 0.82 BTK (0.42) JAK3EGFRBTKFGFR1KDR

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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