SCHEMBL20034086

SCHEMBL20034086

N[C@H]1CCN(C(O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.40
ULK1 O75385 3/20 0.38
PIK3CG P48736 1/20 0.36
VCP P55072 2/20 0.35
KIT P10721 6/20 0.34
CSF1R P07333 2/20 0.33
CAMK1D Q8IU85 1/20 0.33
PIM1 P11309 2/20 0.33
KARS1 Q15046 1/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
CCNB3 Q8WWL7 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
SCHEMBL20034117 0.95 BRD4 (0.39) BRD4ULK1PIK3CGVCPKIT
SCHEMBL20034104 0.94 BRD4 (0.41) BRD4ULK1PIK3CGVCPKIT
SCHEMBL20034101 0.88 BRD4 (0.41) BRD4ULK1PIK3CGVCPKIT
SCHEMBL20034134 0.88 BRD4 (0.41) BRD4ULK1PIK3CGVCPKIT
SCHEMBL20034098 0.85 BRD4 (0.40) BRD4ULK1PIK3CGKITCSF1R
SCHEMBL20034089 0.85 BRD4 (0.41) BRD4ULK1PIK3CGVCPKIT
SCHEMBL20034100 0.84 BRD4 (0.36) BRD4ULK1PIK3CGKITCCNB2
SCHEMBL20034111 0.83 BRD4 (0.40) BRD4ULK1PIK3CGKITCSF1R
SCHEMBL20034120 0.83 BRD4 (0.38) BRD4ULK1PIK3CGKITCSF1R
SCHEMBL20034099 0.81 BRD4 (0.39) BRD4ULK1PIK3CGKITCSF1R

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