SCHEMBL25566980

SCHEMBL25566980

N#Cc1cccc2c1C1c3ccccc3C2c2c1ccc(I)c2C#N

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
HIF1A Q16665 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL25567067 0.92 DYRK1A (0.33) DYRK1A
SCHEMBL25566979 0.92 MEN1 (0.36) DYRK1AMEN1KMT2AGAA
SCHEMBL25566978 0.85 KMT2A (0.41) MEN1KMT2ATSHRGAACA1
SCHEMBL25567066 0.79 DYRK1A (0.31) DYRK1A
SCHEMBL25568312 0.74 CYP11B1 (0.36) SMN1; SMN2HIF1A
SCHEMBL25567084 0.70 MEN1 (0.37) DYRK1AMEN1KMT2ATSHRGAA
SCHEMBL3957849 0.69 DYRK1A (0.47) DYRK1AMEN1KMT2ATSHRGAA
SCHEMBL25567148 0.68 MEN1 (0.50) MEN1KMT2ATSHRGAACA1
SCHEMBL16723344 0.67 MEN1 (0.46) MEN1KMT2AGAA
SCHEMBL24524160 0.67 MAOA (0.34) MEN1KMT2AGAA

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
WO-2023094412-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-01 WO disclosed