SCHEMBL28388785

SCHEMBL28388785

C=CC(=O)Nc1ccnc(-c2c(C)ccc3cnc(Nc4ccc(C5CNCCO5)cc4OC)nc23)c1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 9/20 0.43
▸ JAK3 P52333 1/20 0.43

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
SCHEMBL28412163 0.97 EGFR (0.42) EGFRJAK3
SCHEMBL28394117 0.93 EGFR (0.43) EGFRJAK3
SCHEMBL28384362 0.93 EGFR (0.45) EGFRJAK3
SCHEMBL28422007 0.91 EGFR (0.41) EGFRJAK3
SCHEMBL28414763 0.91 EGFR (0.43) EGFR
SCHEMBL28386146 0.90 SLC6A3 (0.45) —
SCHEMBL28386199 0.90 EGFR (0.38) EGFRJAK3
SCHEMBL28383470 0.90 JAK3 (0.47) EGFRJAK3
SCHEMBL28384151 0.89 ALK (0.47) EGFRJAK3
SCHEMBL28385472 0.86 BTK (0.42) EGFRJAK3

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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