SCHEMBL6186547

SCHEMBL6186547

C#Cc1ccc(Nc2c(-c3nnc(NC(CO)C(O)C(O)C(CO)Nc4nnc(-c5ccc(F)c(F)c5Nc5ccc(I)cc5F)o4)o3)ccc(F)c2F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.39
MAP2K2 P36507 11/20 0.39
MAP2K5 Q13163 2/20 0.39
BRAF P15056 1/20 0.39
MAPK1 P28482 1/20 0.39
PIM1 P11309 1/20 0.33
CAMK2B Q13554 1/20 0.33

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
SCHEMBL6186545 0.91 MAP2K1 (0.40) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL6206971 0.85 MAP2K1 (0.38) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL6206974 0.83 MAP2K1 (0.47) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL6189159 0.81 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL6190111 0.81 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL6191826 0.79 MAP2K1 (0.38) MAP2K1MAP2K2
SCHEMBL6186539 0.79 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL6206562 0.77 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL6208327 0.76 MAP2K1 (0.52) MAP2K1MAP2K2MAP2K5BRAFMAPK1
SCHEMBL6399219 0.75 MAP2K1 (0.43) MAP2K1MAP2K2MAP2K5BRAFMAPK1

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-1578736-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL-PHENYLAMINE DERIVATIVES Warner-Lambert Company LLC (US) 2005-09-28 EP claimed
WO-2004056789-A1 MEK INHIBITING OXA- AND THIA-DIAZOL-2-YL PHENYLAMINE DERIVATES WARNER-LAMBERT COMPANY LLC (US) 2004-07-08 WO claimed