SCHEMBL16197813

SCHEMBL16197813

Cc1cc(N)cc(-c2cnc([C@@]3(O)CC[C@@H](C(=O)O)C(C)(C)C3)s2)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.65
JAK2 O60674 1/20 0.65
NTRK1 P04629 1/20 0.65
FYN P06241 1/20 0.65
FGR P09769 1/20 0.65
SRC P12931 1/20 0.65
FER P16591 1/20 0.65
SLC6A2 P23975 1/20 0.65
ZAP70 P43403 1/20 0.65
NTRK3 Q16288 1/20 0.65
CYSLTR2 Q9NS75 1/20 0.65
CYSLTR1 Q9Y271 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65

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
SCHEMBL16197811 1.00 SYK (0.65) SYKJAK2NTRK1FYNFGR
SCHEMBL17536788 1.00 SYK (0.65) SYKJAK2NTRK1FYNFGR
SCHEMBL12193922 0.92 SYK (0.58) SYKJAK2NTRK1FYNFGR
SCHEMBL17536864 0.90 SYK (0.72) SYKJAK2NTRK1FYNFGR
SCHEMBL15304322 0.90 SYK (0.72) SYKJAK2NTRK1FYNFGR
SCHEMBL2506225 0.90 SYK (0.72) SYKJAK2NTRK1FYNFGR
SCHEMBL2498272 0.90 SYK (0.72) SYKJAK2NTRK1FYNFGR
SCHEMBL2036975 0.85 SYK (0.56) SYKJAK2NTRK1FYNFGR
SCHEMBL13518388 0.84 SYK (0.53) SYKJAK2NTRK1FYNFGR
SCHEMBL2046206 0.82 SYK (0.85) SYKJAK2NTRK1FYNFGR

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-2988744-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-03-02 EP disclosed
WO-2014176210-A1 THIAZOLE-SUBSTITUTED AMINOHETEROARYLS AS SPLEEN TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-10-30 WO disclosed