SCHEMBL25566979

SCHEMBL25566979

N#Cc1c(I)ccc2c1C1c3ccccc3C2c2c1ccc(I)c2C#N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
DYRK1A Q13627 2/20 0.35
CDK1 P06493 1/20 0.33
ROS1 P08922 1/20 0.33
FLT1 P17948 1/20 0.33
MARK3 P27448 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
CLK2 P49760 1/20 0.33
GSK3B P49841 1/20 0.33
CDK5 Q00535 1/20 0.33
SLK Q9H2G2 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
EEF2K O00418 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
SCHEMBL25566980 0.92 DYRK1A (0.32) MEN1GAAKMT2ADYRK1A
SCHEMBL25567066 0.86 DYRK1A (0.31) DYRK1A
SCHEMBL25567067 0.83 DYRK1A (0.33) DYRK1A
SCHEMBL16723344 0.73 MEN1 (0.46) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL25566978 0.72 KMT2A (0.41) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL8466190 0.70 DYRK1A (0.46) MEN1GAAKMT2ADYRK1AKDM4E
SCHEMBL24196688 0.70 ALDH1A1 (0.36) MEN1GAAKMT2ADYRK1AKDM4E
SCHEMBL26218564 0.69 MEN1 (0.39) MEN1GAAKMT2A
SCHEMBL17639864 0.68 HTR2A (0.40) MEN1GAAKMT2AKDM4EALDH1A1
SCHEMBL25626321 0.67 HTR2A (0.39) MEN1GAAKMT2AKDM4EALDH1A1

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