SCHEMBL29909016

SCHEMBL29909016

CN(c1cc(F)cc(C#CC(C)(C)C)c1)c1nc2nnc(Cl)n2c2ccccc12

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.32

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
SCHEMBL29909265 0.91 ABCG2 (0.30) ABCG2
SCHEMBL29909578 0.90
SCHEMBL29909941 0.88 ABCG2 (0.31) ABCG2
SCHEMBL29909791 0.84
SCHEMBL29909067 0.83
SCHEMBL29909257 0.83 ABCG2 (0.31) ABCG2
SCHEMBL29909116 0.83
SCHEMBL29909043 0.83
SCHEMBL29909527 0.81 ABCG2 (0.31) ABCG2
SCHEMBL29909728 0.80 ABCG2 (0.31) ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4081305-A1 DIACYLGLYCEROL KINASE MODULATING COMPOUNDS Carna Biosciences, Inc. (JP) 2022-11-02 EP disclosed