SCHEMBL4647702

SCHEMBL4647702

CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(N)c3)cc2F)n(-c2cccc(F)c2)n1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.79
BRAF P15056 10/20 0.54
KCNJ6 P48051 2/20 0.53
KCNJ5 P48544 2/20 0.53
KCNJ3 P48549 2/20 0.53
SRC P12931 2/20 0.49
SYK P43405 2/20 0.49
GSK3A P49840 1/20 0.49
PLK4 O00444 1/20 0.48
ACOX3 O15254 1/20 0.48
MAP3K7 O43318 1/20 0.48
DYRK3 O43781 1/20 0.48
JAK2 O60674 1/20 0.48
ERN1 O75460 1/20 0.48
RPS6KA4 O75676 1/20 0.48
STK10 O94804 1/20 0.48
MAP4K4 O95819 1/20 0.48
ABL1 P00519 1/20 0.48
RAF1 P04049 1/20 0.48
NTRK1 P04629 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
SCHEMBL4649353 0.91 MAPK14 (0.66) MAPK14BRAFKCNJ6KCNJ5KCNJ3
SCHEMBL4686310 0.91 MAPK14 (0.65) MAPK14BRAFSRCSYKPLK4
SCHEMBL16749182 0.89 MAPK14 (1.00) MAPK14BRAFSRCSYKPLK4
SCHEMBL29844334 0.89 MAPK14 (1.00) MAPK14BRAFSRCSYKPLK4
SCHEMBL4787983 0.87 MAPK14 (0.61) MAPK14BRAFKCNJ6KCNJ5KCNJ3
SCHEMBL2025093 0.86 MAPK14 (0.65) MAPK14BRAFSRCSYKGSK3A
SCHEMBL4648264 0.85 MAPK14 (0.59) MAPK14BRAFSRCSYKPLK4
SCHEMBL14538023 0.85 MAPK14 (0.84) MAPK14BRAFSRCSYKPLK4
SCHEMBL5055024 0.84 MAPK14 (0.58) MAPK14BRAFKCNJ6KCNJ5KCNJ3
SCHEMBL2244656 0.84 MAPK14 (0.58) MAPK14BRAFKCNJ6KCNJ5KCNJ3

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 3 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
WO-2007059202-A2 PYRAZOLYL UREA DERIVATIVES USEFUL IN THE TREATMENT OF CANCER BAYER HEALTHCARE AG (DE) 2007-05-24 WO disclosed