SCHEMBL20034136

SCHEMBL20034136

NC1CCN(C(O)c2cc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
ULK1 O75385 7/20 0.39
PIK3CG P48736 1/20 0.39
KIT P10721 5/20 0.36
VCP P55072 1/20 0.36
PIK3C3 Q8NEB9 1/20 0.35
CKS1B P61024 1/20 0.34
SKP1 P63208 1/20 0.34
SKP2 Q13309 1/20 0.34
CSF1R P07333 1/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
DKK1 O94907 1/20 0.34

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
SCHEMBL20034098 0.94 BRD4 (0.40) BRD4ULK1PIK3CGKITPIK3C3
SCHEMBL20034104 0.85 BRD4 (0.41) BRD4ULK1PIK3CGKITVCP
SCHEMBL20034089 0.81 BRD4 (0.41) BRD4ULK1PIK3CGKITVCP
SCHEMBL18918931 0.80 ULK1 (0.46) BRD4ULK1PIK3CGKITPIK3C3
SCHEMBL20034086 0.79 BRD4 (0.40) BRD4ULK1PIK3CGKITVCP
SCHEMBL18918872 0.76 ULK1 (0.45) BRD4ULK1PIK3CGKITPIK3C3
SCHEMBL18918718 0.74 PLK4 (0.53) ULK1
SCHEMBL20034117 0.74 BRD4 (0.39) BRD4ULK1PIK3CGKITVCP
SCHEMBL18944167 0.72 ULK1 (0.46) BRD4ULK1PIK3CGKITPIK3C3
SCHEMBL18918863 0.72 BRD4 (0.45) BRD4ULK1PIK3CGKITPIK3C3

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
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed