SCHEMBL13070495

SCHEMBL13070495

Bc1ccc(Nc2c(-c3nnc(NCCO)o3)cn(C)c(=O)c2F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.41
KDR P35968 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAP2K2 P36507 1/20 0.35
CHRNA7 P36544 1/20 0.33
KCNH2 Q12809 1/20 0.33
FLT1 P17948 1/20 0.33
MTOR P42345 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
SCHEMBL14549250 0.93 MAP2K1 (0.41) MAP2K1KDRCYP3A4CHRNA7KCNH2
SCHEMBL391126 0.90 MAP2K1 (0.55) MAP2K1MAP2K2
SCHEMBL15468555 0.82 MAP2K1 (0.44) MAP2K1
SCHEMBL10195311 0.82 MAP2K1 (0.54) MAP2K1MAP2K2
SCHEMBL392179 0.82 MAP2K1 (0.52) MAP2K1MAP2K2
Hydrochloric Acid SCHEMBL388702 0.81 MAP2K1 (0.53) MAP2K1MAP2K2
Hydrochloric Acid SCHEMBL388701 0.81 MAP2K1 (0.52) MAP2K1MAP2K2
SCHEMBL13148417 0.77 MAP2K1 (0.43) MAP2K1CHRNA7KCNH2
SCHEMBL5623735 0.74 MAP2K1 (0.52) MAP2K1KDRCYP3A4MAP2K2CHRNA7
SCHEMBL391465 0.74 MAP2K1 (0.51) MAP2K1KDRMAP2K2FLT1

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-A2 Heterocyclic inhibitors of MEK and methods of use thereof Array Biopharma, Inc. (US) 2010-11-17 EP disclosed