SCHEMBL28385472

SCHEMBL28385472

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 3/20 0.42
▸ EGFR P00533 2/20 0.42
▸ ITK Q08881 2/20 0.42
▸ JAK3 P52333 2/20 0.42
▸ PDGFRA P16234 2/20 0.39
▸ MAPK3 P27361 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ FGFR1 P11362 1/20 0.35

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
SCHEMBL28387170 0.92 JAK3 (0.37) BTKEGFRITKJAK3PDGFRA
SCHEMBL28383333 0.92 JAK3 (0.39) BTKEGFRITKJAK3MAPK3
SCHEMBL28385548 0.92 BTK (0.38) BTKEGFRITKJAK3KDR
SCHEMBL28387958 0.90 EGFR (0.42) BTKEGFRITKJAK3PDGFRA
SCHEMBL28382401 0.88 FGFR1 (0.42) BTKEGFRITKJAK3KDR
SCHEMBL28386146 0.87 SLC6A3 (0.45) —
SCHEMBL28385471 0.87 — —
SCHEMBL28386199 0.86 EGFR (0.38) BTKEGFRITKJAK3MAPK3
SCHEMBL28388785 0.86 EGFR (0.43) EGFRJAK3
SCHEMBL28387194 0.84 FGFR1 (0.45) BTKEGFRITKKDRFGFR1

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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