SCHEMBL13636532

SCHEMBL13636532

CCOCCCCn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.75
MAP2K2 P36507 2/20 0.75
SMC2 O95347 1/20 0.75
EGFR P00533 1/20 0.75
CSNK2A2 P19784 1/20 0.75
SMC1A Q14683 1/20 0.75
AAK1 Q2M2I8 1/20 0.75
Q6ZSR9 Q6ZSR9 1/20 0.75
BMP2K Q9NSY1 1/20 0.75
ABCB11 O95342 1/20 0.64
NQO2 P16083 1/20 0.64
BRAF P15056 5/20 0.47

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
SCHEMBL4546038 0.95 MAP2K1 (0.79) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL4546019 0.93 MAP2K1 (0.80) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL4545986 0.93 MAP2K1 (0.79) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL4546036 0.90 MAP2K1 (0.82) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL4546041 0.89 MAP2K1 (0.82) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL18752749 0.88 MAP2K1 (0.78) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL12957313 0.88 MAP2K1 (0.68) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL13602023 0.87 MAP2K1 (0.68) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL18752893 0.87 MAP2K1 (0.73) MAP2K1MAP2K2SMC2EGFRCSNK2A2
SCHEMBL4546114 0.87 MAP2K1 (0.78) MAP2K1MAP2K2SMC2EGFRCSNK2A2

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
EP-1482932-B1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2009-11-25 EP disclosed