SCHEMBL29687203

SCHEMBL29687203

COc1cncc(-n2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)ccc2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.48

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
SCHEMBL23091717 1.00 ABL1 (0.48) ABL1
SCHEMBL24849975 0.91 ABL1 (0.49) ABL1
SCHEMBL29687316 0.90 ABL1 (0.51) ABL1
SCHEMBL23091736 0.90 ABL1 (0.51) ABL1
SCHEMBL29687487 0.90 ABL1 (0.57) ABL1
SCHEMBL23091780 0.90 ABL1 (0.57) ABL1
SCHEMBL29687244 0.89 ABL1 (0.48) ABL1
SCHEMBL23091764 0.89 ABL1 (0.48) ABL1
SCHEMBL23091719 0.88 RAB9A (0.50) ABL1
SCHEMBL23091748 0.87 ABL1 (0.58) ABL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4028387-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-07-20 — — EP claimed
EP-4028387-A1 NEW COMPOUNDS AND METHODS BenevolentAI Bio Limited (GB) 2022-07-20 — — EP disclosed
CN-114502544-A Novel compounds and methods 博善人工智能生物科技有限公司 2022-05-13 — — CN disclosed
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