SCHEMBL2053559

SCHEMBL2053559

CCC1(C(=O)O)CCC(O)(c2ncc(-c3cc(C)cc(Nc4nccc(S(C)(=O)=O)n4)c3)s2)CC1c1ccccc1C

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.54
JAK2 O60674 1/20 0.48
NTRK1 P04629 1/20 0.48
FYN P06241 1/20 0.48
FGR P09769 1/20 0.48
SRC P12931 1/20 0.48
FER P16591 1/20 0.48
SLC6A2 P23975 1/20 0.48
ZAP70 P43403 1/20 0.48
NTRK3 Q16288 1/20 0.48
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL2053558 0.83 SYK (0.73) SYKJAK2NTRK1FYNFGR
SCHEMBL2053255 0.81 SYK (0.59) SYKJAK2NTRK1FYNFGR
SCHEMBL2504440 0.80 SYK (0.72) SYKJAK2NTRK1FYNFGR
SCHEMBL2507309 0.78 SYK (0.56) SYKJAK2NTRK1FYNFGR
SCHEMBL2501409 0.78 SYK (0.56) SYKJAK2NTRK1FYNFGR
SCHEMBL2018247 0.75 SYK (0.58) SYKJAK2NTRK1FYNFGR
SCHEMBL2500977 0.75 SYK (0.73) SYKJAK2NTRK1FYNFGR
SCHEMBL2015543 0.74 SYK (0.57) SYKJAK2NTRK1FYNFGR
SCHEMBL2508725 0.74 SYK (0.86) SYKJAK2NTRK1FYNFGR
SCHEMBL2019095 0.72 SYK (0.59) 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-2513098-A1 AMINOPYRIMIDINES AS SYK INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-24 EP disclosed
WO-2011075515-A1 AMINOPYRIMIDINES AS SYK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-06-23 WO disclosed