SCHEMBL20034089

SCHEMBL20034089

N[C@H]1CCN(C(O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)c2)C1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
CDK8 P49336 1/20 0.39
PIK3CG P48736 1/20 0.39
ULK1 O75385 3/20 0.37
VCP P55072 2/20 0.36
CAMK1D Q8IU85 1/20 0.35
KIT P10721 7/20 0.35
CSF1R P07333 2/20 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
EGFR P00533 1/20 0.34
KCNH2 Q12809 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 0.87 BRD4 (0.40) BRD4PIK3CGULK1KITCSF1R
SCHEMBL20034086 0.85 BRD4 (0.40) BRD4PIK3CGULK1VCPCAMK1D
SCHEMBL20034136 0.81 BRD4 (0.41) BRD4PIK3CGULK1VCPKIT
SCHEMBL20034117 0.80 BRD4 (0.39) BRD4PIK3CGULK1VCPCAMK1D
SCHEMBL20034104 0.79 BRD4 (0.41) BRD4PIK3CGULK1VCPKIT
SCHEMBL18918915 0.77 KDR (0.49) BRD4CDK8ULK1
SCHEMBL18918718 0.74 PLK4 (0.53) CDK8ULK1
SCHEMBL18918872 0.74 ULK1 (0.45) BRD4PIK3CGULK1KIT
SCHEMBL20034134 0.73 BRD4 (0.41) BRD4PIK3CGULK1VCPKIT
SCHEMBL20034101 0.73 BRD4 (0.41) BRD4PIK3CGULK1VCPKIT

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