SCHEMBL28550699

SCHEMBL28550699

CC(C)(C)OC(=O)N1CC(=O)CC1c1cncc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 14/20 0.38
JAK2 O60674 13/20 0.38
RIPK1 Q13546 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL18588908 1.00 NTRK1 (0.38) NTRK1JAK2RIPK1TLR7
SCHEMBL18555647 0.82 RIPK1 (0.39) NTRK1JAK2RIPK1
SCHEMBL18555600 0.82 RIPK1 (0.39) NTRK1JAK2RIPK1
SCHEMBL433008 0.82 RIPK1 (0.52) NTRK1JAK2RIPK1
SCHEMBL445614 0.82 RIPK1 (0.52) NTRK1JAK2RIPK1
SCHEMBL18878228 0.82 RIPK1 (0.49) NTRK1JAK2RIPK1
SCHEMBL18606763 0.82 RIPK1 (0.49) NTRK1JAK2RIPK1
SCHEMBL18588934 0.80 CYP1A2 (0.41) NTRK1JAK2RIPK1
SCHEMBL18588941 0.80 NTRK1 (0.38) NTRK1JAK2
SCHEMBL18588903 0.80 NTRK1 (0.38) NTRK1JAK2

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
CN-108137607-B Compounds and compositions suitable for treating NTRK-related disorders 缆图药品公司 2021-04-06 CN disclosed