SCHEMBL6426990

SCHEMBL6426990

Cn1ncc(NC(=O)[C@@H](O)C[CH]C(C)(C)C)c1N

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FLT1 P17948 1/20 0.30
KDR P35968 1/20 0.30
NTRK1 P04629 1/20 0.30

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
SCHEMBL5499871 0.78 NTRK1 (0.33) NTRK1
SCHEMBL16592882 0.76 KAT2B (0.33)
SCHEMBL5501908 0.76 NTRK1 (0.32) NTRK1
SCHEMBL5497757 0.71 BRD9 (0.36)
SCHEMBL6427812 0.70 NTRK1 (0.35) KDRNTRK1
SCHEMBL16078095 0.69 L3MBTL1 (0.44) KDRNTRK1
SCHEMBL15856849 0.69 NTRK1 (0.37) NTRK1
SCHEMBL3118910 0.68 NTRK1 (0.34) NTRK1
SCHEMBL20540627 0.68 NTRK1 (0.39) NTRK1
Hydrochloric Acid SCHEMBL5497815 0.68 NTRK1 (0.37) NTRK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556389-A1 CEPHEM COMPOUNDS Astellas Pharma Inc. (JP) 2005-07-27 EP disclosed
WO-2004039814-A1 CEPHEM COMPOUNDS ASTELLAS PHARMA INC. (JP) 2004-05-13 WO disclosed