SCHEMBL20034098

SCHEMBL20034098

N[C@H]1CCN(C(O)c2cc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)ccn2)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
ULK1 O75385 10/20 0.38
PIK3CG P48736 1/20 0.38
KIT P10721 6/20 0.35
PIK3C3 Q8NEB9 1/20 0.34
CSF1R P07333 1/20 0.33

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
SCHEMBL20034136 0.94 BRD4 (0.41) BRD4ULK1PIK3CGKITPIK3C3
SCHEMBL20034089 0.87 BRD4 (0.41) BRD4ULK1PIK3CGKITCSF1R
SCHEMBL20034086 0.85 BRD4 (0.40) BRD4ULK1PIK3CGKITCSF1R
SCHEMBL20034117 0.80 BRD4 (0.39) BRD4ULK1PIK3CGKITCSF1R
SCHEMBL20034104 0.79 BRD4 (0.41) BRD4ULK1PIK3CGKITCSF1R
SCHEMBL18918872 0.79 ULK1 (0.45) BRD4ULK1PIK3CGKITPIK3C3
SCHEMBL18918931 0.76 ULK1 (0.46) BRD4ULK1PIK3CGKITPIK3C3
SCHEMBL20034134 0.74 BRD4 (0.41) BRD4ULK1PIK3CGKIT
SCHEMBL20034101 0.74 BRD4 (0.41) BRD4ULK1PIK3CGKIT
SCHEMBL18918915 0.74 KDR (0.49) BRD4ULK1

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