SCHEMBL28383333

SCHEMBL28383333

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 2/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ MAPK3 P27361 1/20 0.38
▸ EGFR P00533 7/20 0.37
▸ BTK Q06187 1/20 0.36
▸ ITK Q08881 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
SCHEMBL28385548 0.92 BTK (0.38) JAK3EGFRBTKITK
SCHEMBL28385472 0.92 BTK (0.42) JAK3MAPK3EGFRBTKITK
SCHEMBL28387170 0.91 JAK3 (0.37) JAK3EGFRBTKITK
SCHEMBL28383465 0.90 BTK (0.42) JAK3JAK2JAK1TYK2EGFR
SCHEMBL28382401 0.88 FGFR1 (0.42) JAK3JAK2JAK1TYK2EGFR
SCHEMBL28384393 0.87 SLC6A3 (0.45) —
SCHEMBL28383332 0.87 — —
SCHEMBL28384362 0.85 EGFR (0.45) JAK3JAK2MAPK3EGFRBTK
SCHEMBL28387194 0.84 FGFR1 (0.45) EGFRBTKITK
SCHEMBL28387958 0.84 EGFR (0.42) JAK3JAK2JAK1TYK2EGFR

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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