SCHEMBL16104558

SCHEMBL16104558

Cn1cc(-c2cnc3c(-c4csc(C(=O)NCc5nccs5)c4)cnn3c2)cn1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARK3 P27448 18/20 0.77
MAPK1 P28482 3/20 0.72
SGK1 O00141 2/20 0.72
PIK3CD O00329 2/20 0.72
CHEK1 O14757 2/20 0.72
MAPK13 O15264 2/20 0.72
PDPK1 O15530 2/20 0.72
NUAK1 O60285 2/20 0.72
CCNT1 O60563 2/20 0.72
JAK2 O60674 2/20 0.72
ROCK2 O75116 2/20 0.72
CHEK2 O96017 2/20 0.72
EGFR P00533 2/20 0.72
RAF1 P04049 2/20 0.72
NTRK1 P04629 2/20 0.72
LCK P06239 2/20 0.72
CSF1R P07333 2/20 0.72
MET P08581 2/20 0.72
HCK P08631 2/20 0.72
KIT P10721 2/20 0.72

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
SCHEMBL3764938 0.87 MARK3 (1.00) MARK3MAPK1SGK1PIK3CDCHEK1
SCHEMBL3763591 0.86 MARK3 (0.74) MARK3MAPK1SGK1PIK3CDCHEK1
SCHEMBL3756835 0.86 MARK3 (0.74) MARK3MAPK1SGK1PIK3CDCHEK1
SCHEMBL3764980 0.85 MARK3 (0.82) MARK3MAPK1SGK1PIK3CDCHEK1
SCHEMBL3758754 0.85 MARK3 (0.82) MARK3MAPK1SGK1PIK3CDCHEK1
SCHEMBL3761594 0.84 MARK3 (0.83) MARK3MAPK1SGK1PIK3CDCHEK1
SCHEMBL3768845 0.84 MARK3 (1.00) MARK3MAPK1SGK1PIK3CDCHEK1
SCHEMBL3762598 0.84 MARK3 (0.83) MARK3MAPK1SGK1PIK3CDCHEK1
SCHEMBL3768919 0.84 MARK3 (0.79) MARK3MAPK1SGK1PIK3CDCHEK1
SCHEMBL3765875 0.82 MARK3 (0.83) MARK3MAPK1SGK1PIK3CDCHEK1

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
EP-2178375-B1 PYRAZOLOÝ1,5-A¨PYRIMIDINE DERIVATIVES MERCK SHARP & DOHME (US) 2014-09-24 EP disclosed