SCHEMBL15468558

SCHEMBL15468558

Bc1ccc(Nc2c(C(=O)O)cn(CCN3CCOCC3)c(=O)c2F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 7/20 0.48
MAP2K2 P36507 2/20 0.42
CNR2 P34972 3/20 0.40
CNR1 P21554 2/20 0.40
BCL3 P20749 4/20 0.39
CSF1R P07333 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GSK3B P49841 1/20 0.38
TOP1 P11387 1/20 0.38
TOP2A P11388 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
SCHEMBL391994 0.89 MAP2K1 (0.64) MAP2K1MAP2K2CNR2CNR1SMN1; SMN2
SCHEMBL14549260 0.81 MAP2K1 (0.49) MAP2K1MAP2K2
SCHEMBL14549249 0.78 MAP2K1 (0.47) MAP2K1MAP2K2CNR2CNR1
SCHEMBL14549236 0.78 MAP2K1 (0.49) MAP2K1MAP2K2
SCHEMBL13070203 0.75 MAP2K1 (0.52) MAP2K1MAP2K2GSK3BTOP2A
SCHEMBL392824 0.74 MAP2K1 (0.72) MAP2K1
SCHEMBL14549235 0.74 MAP2K1 (0.50) MAP2K1MAP2K2
SCHEMBL14549075 0.73 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL27659392 0.73 MAP2K1 (0.72) MAP2K1MAP2K2
SCHEMBL392317 0.71 MAP2K1 (0.66) MAP2K1MAP2K2

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-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP disclosed