SCHEMBL28386146

SCHEMBL28386146

C=CC(=O)Nc1ccnc(-c2c(C)ccc3cnc(Nc4ccc(C5CNCCO5)cc4)nc23)c1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.45

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 0.93 EGFR (0.42) —
SCHEMBL28385471 0.92 — —
SCHEMBL28388017 0.91 — —
SCHEMBL28388000 0.91 — —
SCHEMBL28384393 0.91 SLC6A3 (0.45) SLC6A3TAAR1
SCHEMBL28388785 0.90 EGFR (0.43) —
SCHEMBL28394043 0.88 EGFR (0.47) SLC6A3TAAR1
SCHEMBL28385472 0.87 BTK (0.42) —
SCHEMBL28385501 0.87 EGFR (0.48) —
SCHEMBL28386199 0.86 EGFR (0.38) —

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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