Sugi Predict

Sugi Predict / Compounds / SCHEMBL14538024

SCHEMBL14538024

SCHEMBL14538024

NC1=NC=CC(Oc2ccc(NC(=O)Nc3cc(C4CC4)nn3-c3ccc(Cl)cc3)c(F)c2)C1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KCNJ6 P48051 15/20 0.47
▸ KCNJ3 P48549 15/20 0.47
▸ KCNJ5 P48544 9/20 0.47
▸ MAPK14 Q16539 4/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MAPK13 O15264 1/20 0.38

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
SCHEMBL4648677 0.81 MAPK14 (0.57) KCNJ6KCNJ3KCNJ5MAPK14MAPK13
SCHEMBL31391212 0.75 KCNJ6 (0.61) KCNJ6KCNJ3KCNJ5
SCHEMBL2246430 0.72 KCNJ6 (0.47) KCNJ6KCNJ3KCNJ5MAPK14
SCHEMBL31391193 0.70 KCNJ6 (0.64) KCNJ6KCNJ3KCNJ5
SCHEMBL31265667 0.69 KCNJ6 (0.50) KCNJ6KCNJ3KCNJ5MAPK14MAPK13
SCHEMBL13234475 0.68 KCNJ6 (0.92) KCNJ6KCNJ3KCNJ5CYP3A4GAA
SCHEMBL2243890 0.68 MAPK14 (0.51) KCNJ6KCNJ3KCNJ5MAPK14MAPK13
SCHEMBL2242359 0.68 MAPK14 (0.51) KCNJ6KCNJ3KCNJ5MAPK14MAPK13
SCHEMBL25246469 0.68 BRAF (0.55) KCNJ6KCNJ3KCNJ5MAPK14
SCHEMBL30486131 0.68 BRAF (0.55) KCNJ6KCNJ3KCNJ5MAPK14

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