SCHEMBL624210

SCHEMBL624210

Cc1c(-c2cccs2)n[nH]c1NC(=O)Nc1cncc(C(=O)NCCCN)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
FLT3 P36888 3/20 0.37
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
DYRK1A Q13627 1/20 0.36
MAPK1 P28482 1/20 0.35
CHEK1 O14757 1/20 0.35
CDK7 P50613 1/20 0.35
PTGFR P43088 1/20 0.35
PTGER2 P43116 1/20 0.35
PDGFRB P09619 2/20 0.35
KDR P35968 2/20 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
SCHEMBL624209 0.79 CAMK2D (0.41) HDAC3HDAC1ALDH1A1LMNAMAPT
SCHEMBL624357 0.73 RAB9A (0.51) HDAC3HDAC1KMT2AMEN1KDM4E
SCHEMBL19440879 0.72 KMT2A (0.51) HDAC3HDAC1KMT2AMEN1KDM4E
SCHEMBL627181 0.71 ROCK2 (0.54) CLK2DYRK1AMAPK1
SCHEMBL623932 0.70 RAB9A (0.59) KMT2AKDM4EALDH1A1MAPTPOLB
SCHEMBL10083553 0.70 KDM4E (0.51) KMT2AMEN1KDM4EALDH1A1L3MBTL1
SCHEMBL19442552 0.68 KMT2A (0.49) HDAC3HDAC1KMT2AMEN1KDM4E
SCHEMBL623924 0.68 ABL1 (0.56) ALDH1A1MAPTMAPK1CHEK1CDK7
SCHEMBL569981 0.68 L3MBTL1 (0.43) MAPK8HDAC3KMT2AMEN1KDM4E
SCHEMBL623623 0.67 KDR (0.53) HDAC3HDAC1KMT2AMEN1MAPT

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-2012020080-A2 LIGANDS FOR ANTIBODY AND Fc-FUSION PROTEIN PURIFICATION BY AFFINITY CHROMATOGRAPHY II GRAFFINITY PHARMACEUTICALS GMBH (DE) 2012-02-16 WO disclosed