SCHEMBL14533293

SCHEMBL14533293

N[C@@H]1CCCN(c2nc(Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc(N3C[C@H](N)C[C@H](N)C3)n2)C1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 8/20 0.70
CAMK1D Q8IU85 11/20 0.57
MAPT P10636 1/20 0.51

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
SCHEMBL5386983 0.91 IDH2 (0.56) IDH2CAMK1DMAPT
SCHEMBL30568819 0.83 IDH2 (1.00) IDH2CAMK1DMAPT
SCHEMBL14440842 0.81 IDH2 (0.61) IDH2CAMK1DMAPT
SCHEMBL28459472 0.80 IDH2 (0.90) IDH2CAMK1DMAPT
SCHEMBL5390801 0.80 IDH2 (0.72) IDH2MAPT
SCHEMBL5462440 0.78 IDH2 (0.56) IDH2CAMK1D
SCHEMBL14533274 0.77 IDH2 (0.63) IDH2CAMK1DMAPT
SCHEMBL5380616 0.77 ADRA1D (0.47) IDH2CAMK1D
SCHEMBL14533275 0.75 PTGS2 (0.51) IDH2CAMK1D
SCHEMBL14440330 0.75 POLB (0.54) IDH2CAMK1D

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-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 US disclosed