SCHEMBL29028696

SCHEMBL29028696

N#CCc1c2ccc(Br)cc2nn1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 2/20 0.40
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
CSNK1A1 P48729 1/20 0.36
CDK8 P49336 1/20 0.36
NEK2 P51955 1/20 0.36
LIMK1 P53667 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
KDM4E B2RXH2 2/20 0.36
PDE10A Q9Y233 2/20 0.36
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
MCL1 Q07820 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL29028690 0.84 MAPT (0.39) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL29028699 0.84 MEN1 (0.39) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL29028680 0.83 NPC1 (0.43) CSNK2A1KDM4EALDH1A1MAPTKMT2A
SCHEMBL29028700 0.83 MPO (0.47) KDM4EMAPK1ALDH1A1MAPTHPGD
SCHEMBL30473327 0.83 MEN1 (0.41) CSNK2A1KDM4EALDH1A1MAPTKMT2A
SCHEMBL29028775 0.83 MEN1 (0.41) CSNK2A1KDM4EALDH1A1MAPTKMT2A
SCHEMBL29028776 0.81 MPO (0.42) DYRK1AKDM4EPDE10AMAPK1ALDH1A1
SCHEMBL9910898 0.79 MAPT (0.40) CHEK1AURKACSNK1A1CDK8NEK2
SCHEMBL29028803 0.76 ALDH1A1 (0.41) CLK4KDM4EPDE10AMAPK1ALDH1A1
SCHEMBL29028704 0.76 MEN1 (0.45) KDM4EPDE10AMAPK1ALDH1A1MAPT

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-116332851-A Cyanomethyl phenyl indazole compound and preparation method thereof 河南中医药大学 2023-06-27 CN disclosed