SCHEMBL20034094

SCHEMBL20034094

NC1(C(F)(F)F)CCN(C(O)c2cccc(-c3cnc4[nH]c(-c5ccccc5)cc4c3)n2)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 13/20 0.40
BRD4 O60885 1/20 0.35
PIK3CG P48736 1/20 0.33
PIM1 P11309 1/20 0.33
KIT P10721 4/20 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
SCHEMBL20034099 0.87 BRD4 (0.39) ULK1BRD4PIK3CGKIT
SCHEMBL20034111 0.85 BRD4 (0.40) ULK1BRD4PIK3CGKIT
SCHEMBL20034118 0.84 BRD4 (0.38) ULK1BRD4PIK3CGPIM1KIT
SCHEMBL20034104 0.81 BRD4 (0.41) ULK1BRD4PIK3CGKIT
SCHEMBL18918679 0.80 ULK1 (0.49) ULK1BRD4PIK3CGPIM1KIT
SCHEMBL20034100 0.80 BRD4 (0.36) ULK1BRD4PIK3CGKIT
SCHEMBL20034086 0.79 BRD4 (0.40) ULK1BRD4PIK3CGPIM1KIT
SCHEMBL20034120 0.78 BRD4 (0.38) ULK1BRD4PIK3CGKIT
SCHEMBL20034117 0.78 BRD4 (0.39) ULK1BRD4PIK3CGPIM1KIT
SCHEMBL20034134 0.75 BRD4 (0.41) ULK1BRD4PIK3CGKIT

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