SCHEMBL27679451

SCHEMBL27679451

O=C(OC1CC1)c1cn(Cc2ccccc2)c(=O)c(Cl)c1Nc1ccc(Br)cc1F

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.51
POLB P06746 1/20 0.42
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL27659384 0.93 MAP2K1 (0.51) MAP2K1POLBMEN1HTTKMT2A
SCHEMBL392685 0.86 MAP2K1 (0.57) MAP2K1POLBMEN1HTTKMT2A
SCHEMBL388534 0.85 MAP2K1 (0.57) MAP2K1POLBMEN1HTTKMT2A
SCHEMBL27679436 0.84 MAP2K1 (0.68) MAP2K1
SCHEMBL392162 0.83 MAP2K1 (0.75) MAP2K1
SCHEMBL5179043 0.81 MAP2K1 (0.68) MAP2K1MEN1KMT2A
SCHEMBL390061 0.80 MAP2K1 (0.74) MAP2K1
SCHEMBL27659398 0.80 MAP2K1 (0.57) MAP2K1
SCHEMBL392481 0.80 MAP2K1 (0.67) MAP2K1POLBMEN1HTTKMT2A
SCHEMBL27883684 0.79 MAP2K1 (0.55) MAP2K1

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
CN-1905873-A Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC (US) 2007-01-31 CN disclosed