SCHEMBL29687568

SCHEMBL29687568

O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(Cl)nc(-c2cncnc2)c1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.70
▸ KCNH2 Q12809 1/20 0.58

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
SCHEMBL23091712 1.00 ABL1 (0.70) ABL1KCNH2
SCHEMBL23091704 0.85 ABL1 (0.68) ABL1KCNH2
SCHEMBL29687254 0.85 ABL1 (0.68) ABL1KCNH2
SCHEMBL24849971 0.85 TRPV1 (0.62) ABL1
SCHEMBL15392861 0.83 ABL1 (1.00) ABL1KCNH2
SCHEMBL16714112 0.80 ABL1 (1.00) ABL1KCNH2
SCHEMBL15391083 0.80 ABL1 (1.00) ABL1KCNH2
SCHEMBL15392839 0.80 ABL1 (0.81) ABL1KCNH2
SCHEMBL15391996 0.79 ABL1 (1.00) ABL1
SCHEMBL15391366 0.79 ABL1 (1.00) 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 2 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 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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