SCHEMBL4648677

SCHEMBL4648677

Nc1cc(Oc2ccc(NC(=O)Nc3cc(C4CC4)nn3-c3ccc(Cl)cc3)c(F)c2)ccn1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.57
KCNJ6 P48051 8/20 0.48
KCNJ3 P48549 8/20 0.48
KCNJ5 P48544 6/20 0.48
MAPK13 O15264 1/20 0.47
KDR P35968 1/20 0.46
BRAF P15056 3/20 0.46

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
SCHEMBL4787983 0.86 MAPK14 (0.61) MAPK14KCNJ6KCNJ3KCNJ5MAPK13
SCHEMBL4647983 0.85 KCNJ6 (0.66) MAPK14KCNJ6KCNJ3KCNJ5BRAF
SCHEMBL2246430 0.83 KCNJ6 (0.47) MAPK14KCNJ6KCNJ3KCNJ5KDR
SCHEMBL14538024 0.81 KCNJ6 (0.47) MAPK14KCNJ6KCNJ3KCNJ5MAPK13
SCHEMBL4745379 0.80 MAPK14 (0.66) MAPK14KCNJ6KCNJ3KCNJ5MAPK13
SCHEMBL2242576 0.79 ABL1 (0.60) MAPK14KCNJ6KCNJ3KCNJ5KDR
SCHEMBL2243747 0.79 ABL1 (0.58) MAPK14KCNJ6KCNJ3KCNJ5MAPK13
SCHEMBL2240618 0.79 ABL1 (0.58) MAPK14KCNJ6KCNJ3KCNJ5MAPK13
SCHEMBL4686310 0.79 MAPK14 (0.65) MAPK14MAPK13KDRBRAF
SCHEMBL2243890 0.78 MAPK14 (0.51) MAPK14KCNJ6KCNJ3KCNJ5MAPK13

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