SCHEMBL28537667

SCHEMBL28537667

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

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 13/20 0.41
JAK2 O60674 12/20 0.38
ABHD6 Q9BV23 1/20 0.36
TACR1 P25103 3/20 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
SCHEMBL18588959 1.00 NTRK1 (0.41) NTRK1JAK2ABHD6TACR1
SCHEMBL451781 0.83 RIPK1 (0.50) NTRK1JAK2TACR1
SCHEMBL430829 0.83 RIPK1 (0.50) NTRK1JAK2TACR1
SCHEMBL21723215 0.83 RIPK1 (0.50) NTRK1JAK2TACR1
SCHEMBL29744544 0.83 RIPK1 (0.50) NTRK1JAK2TACR1
SCHEMBL18555578 0.82 NTRK1 (0.43) NTRK1JAK2ABHD6
SCHEMBL18555577 0.82 NTRK1 (0.43) NTRK1JAK2ABHD6
SCHEMBL24526756 0.81 TACR1 (0.35) NTRK1JAK2TACR1
SCHEMBL29759291 0.81 TACR1 (0.35) NTRK1JAK2TACR1
SCHEMBL18878228 0.80 RIPK1 (0.49) 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