SCHEMBL29796777

SCHEMBL29796777

C#CCC(C)(C)c1nnc(-c2cc3c(cc2F)SC[C@H](NC(=O)OC(C)(C)C)C(=O)N3Cc2ccc(OC(F)(F)F)cc2)o1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.35
▸ GRM2 Q14416 1/20 0.30

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
SCHEMBL26961736 1.00 SRC (0.35) SRCGRM2
SCHEMBL29796857 0.93 SRC (0.36) SRCGRM2
SCHEMBL26961825 0.93 SRC (0.36) SRCGRM2
SCHEMBL26961747 0.90 SRC (0.33) SRC
SCHEMBL29796821 0.90 SRC (0.33) SRC
SCHEMBL26962271 0.87 KCNN4 (0.32) GRM2
SCHEMBL29796826 0.85 POLB (0.35) SRC
SCHEMBL26961878 0.85 POLB (0.35) SRC
SCHEMBL29796737 0.84 SRC (0.39) SRCGRM2
SCHEMBL26961887 0.84 SRC (0.39) SRCGRM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4291558-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2023-12-20 — — EP disclosed
WO-2022171745-A1 BICYCLIC TETRAHYDROAZEPINE DERIVATIVES FOR THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-08-18 — — WO disclosed
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