SCHEMBL4648668

SCHEMBL4648668

COc1cc(F)cc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(Oc3ccnc(N)c3)cc2F)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.81
MAPK13 O15264 2/20 0.58
BRAF P15056 12/20 0.57
ABL1 P00519 2/20 0.57
PLK4 O00444 1/20 0.56
ACOX3 O15254 1/20 0.56
MAP3K7 O43318 1/20 0.56
DYRK3 O43781 1/20 0.56
JAK2 O60674 1/20 0.56
ERN1 O75460 1/20 0.56
RPS6KA4 O75676 1/20 0.56
STK10 O94804 1/20 0.56
MAP4K4 O95819 1/20 0.56
RAF1 P04049 1/20 0.56
NTRK1 P04629 1/20 0.56
LCK P06239 1/20 0.56
FYN P06241 1/20 0.56
CDK1 P06493 1/20 0.56
FES P07332 1/20 0.56
CSF1R P07333 1/20 0.56

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
SCHEMBL4649095 0.91 MAPK14 (0.87) MAPK14MAPK13BRAFABL1PLK4
SCHEMBL4647532 0.90 MAPK14 (0.83) MAPK14MAPK13BRAFABL1PLK4
SCHEMBL29844334 0.90 MAPK14 (1.00) MAPK14MAPK13BRAFABL1PLK4
SCHEMBL16749182 0.90 MAPK14 (1.00) MAPK14MAPK13BRAFABL1PLK4
SCHEMBL4649049 0.90 MAPK14 (0.79) MAPK14MAPK13BRAFABL1PLK4
SCHEMBL31265636 0.89 MAPK14 (0.86) MAPK14MAPK13BRAFABL1PLK4
SCHEMBL4648390 0.89 MAPK14 (0.81) MAPK14MAPK13BRAFABL1PLK4
SCHEMBL4787344 0.86 MAPK14 (0.77) MAPK14MAPK13BRAFABL1PLK4
SCHEMBL4746824 0.86 MAPK14 (0.77) MAPK14MAPK13BRAFABL1PLK4
SCHEMBL4689846 0.86 MAPK14 (0.77) MAPK14MAPK13BRAFABL1PLK4

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-1960394-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER Bayer HealthCare AG (DE) 2008-08-27 EP disclosed
WO-2007059202-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE AG (DE) 2007-05-24 WO disclosed