SCHEMBL2067908

SCHEMBL2067908

CCCC(O)(CNC(=O)c1nccc(Sc2cnc(Nc3ccc(C(NC(=O)O)C(C)(C)C)cn3)s2)c1F)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 10/20 0.34
▸ JAK3 P52333 1/20 0.31
▸ BTK Q06187 1/20 0.31

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
SCHEMBL2065453 0.89 NTRK1 (0.31) NTRK1
SCHEMBL2066204 0.87 NTRK1 (0.43) NTRK1JAK3BTK
SCHEMBL2066843 0.87 NTRK1 (0.43) NTRK1JAK3BTK
SCHEMBL2066201 0.87 NTRK1 (0.43) NTRK1JAK3BTK
SCHEMBL2066846 0.86 NTRK1 (0.37) NTRK1JAK3BTK
SCHEMBL2065278 0.86 NTRK1 (0.37) NTRK1JAK3BTK
SCHEMBL2066215 0.86 NTRK1 (0.35) NTRK1JAK3BTK
SCHEMBL2065722 0.85 NTRK1 (0.38) NTRK1JAK3BTK
SCHEMBL2065432 0.85 KDR (0.39) NTRK1JAK3BTK
SCHEMBL2065587 0.85 KDR (0.35) NTRK1JAK3BTK

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-8148400-B2 Thiazolyl compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-03 — — US disclosed
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