SCHEMBL6186545

SCHEMBL6186545

C#Cc1ccc(Nc2c(-c3nnc(NC(CO)CO)o3)ccc(F)c2F)c(F)c1.OCC(CO)Nc1nnc(-c2ccc(F)c(F)c2Nc2ccc(I)cc2F)o1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.40
MAP2K2 P36507 11/20 0.40
BRAF P15056 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K5 Q13163 1/20 0.39
PIM1 P11309 1/20 0.34
CAMK2B Q13554 1/20 0.34
IDO1 P14902 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
SCHEMBL6206971 0.95 MAP2K1 (0.38) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6206974 0.92 MAP2K1 (0.47) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6186547 0.91 MAP2K1 (0.39) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6206196 0.83 IRAK4 (0.34) MAP2K1MAP2K2
SCHEMBL6190111 0.82 MAP2K1 (0.42) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6189159 0.82 MAP2K1 (0.42) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6191826 0.81 MAP2K1 (0.38) MAP2K1MAP2K2
SCHEMBL6397573 0.79 RXFP1 (0.33) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6188842 0.79 GSK3B (0.33) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL6186539 0.79 MAP2K1 (0.48) MAP2K1MAP2K2BRAFMAPK1MAP2K5

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