SCHEMBL28845843

SCHEMBL28845843

CN1CCN(c2ccc(-c3ccccc3)cc2Nc2ncnc(Cl)c2N)CC1

nearest known ligand 0.86

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 20/20 0.86
KMT2A Q03164 20/20 0.86

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
SCHEMBL24166284 1.00 WDR5 (0.86) WDR5KMT2A
SCHEMBL29890884 1.00 WDR5 (0.86) WDR5KMT2A
SCHEMBL24429941 0.93 WDR5 (1.00) WDR5KMT2A
SCHEMBL29544570 0.92 WDR5 (0.83) WDR5KMT2A
SCHEMBL24166667 0.92 WDR5 (0.83) WDR5KMT2A
SCHEMBL24166602 0.91 WDR5 (0.85) WDR5KMT2A
SCHEMBL29545444 0.91 WDR5 (0.85) WDR5KMT2A
SCHEMBL28845798 0.90 WDR5 (0.83) WDR5KMT2A
SCHEMBL24166669 0.90 WDR5 (0.83) WDR5KMT2A
SCHEMBL29890966 0.89 WDR5 (0.83) WDR5KMT2A

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
CN-109734674-B Aniline WDR5 protein-protein interaction inhibitor and preparation method and application thereof 中国药科大学 2022-08-26 CN disclosed