SCHEMBL28383465

SCHEMBL28383465

C=CC(=O)Nc1cccc(-c2c(Cl)ccc3cnc(Nc4cccnc4C4CNCCO4)nc23)c1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 5/20 0.42
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ EGFR P00533 8/20 0.40
▸ FGFR4 P22455 1/20 0.39

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
SCHEMBL28387194 0.92 FGFR1 (0.45) BTKFGFR1KDREGFR
SCHEMBL28387958 0.92 EGFR (0.42) BTKJAK2JAK1TYK2JAK3
SCHEMBL28388723 0.91 FGFR1 (0.41) BTKJAK2JAK1TYK2JAK3
SCHEMBL28383333 0.90 JAK3 (0.39) BTKJAK2JAK1TYK2JAK3
SCHEMBL28887739 0.89 EGFR (0.52) BTKJAK2JAK1TYK2JAK3
SCHEMBL28385553 0.87 BTK (0.49) BTKEGFR
SCHEMBL28383464 0.86 BTK (0.47) BTKJAK2JAK1TYK2JAK3
SCHEMBL28387179 0.85 EGFR (0.49) BTKJAK2JAK3EGFR
SCHEMBL28385472 0.84 BTK (0.42) BTKJAK3FGFR1KDREGFR
SCHEMBL28385548 0.84 BTK (0.38) BTKJAK3FGFR1KDREGFR

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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