SCHEMBL5404404

SCHEMBL5404404

Nc1nnc(-c2cn3ccnc3c(F)c2Nc2ccc(Br)cc2F)o1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 15/20 0.36
DGAT1 O75907 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAP2K2 P36507 2/20 0.31
ABCB11 O95342 1/20 0.31
NQO2 P16083 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL5406374 0.91 MAP2K1 (0.36) MAP2K1DGAT1TP53MAP2K2MAPK1
SCHEMBL3972766 0.91 MAP2K1 (0.35) MAP2K1DGAT1KDM4ETP53TSHR
SCHEMBL5393091 0.89 FLT1 (0.37) MAP2K1KDM4EMAP2K2
SCHEMBL14499764 0.86 MAP2K1 (0.34) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL5399041 0.86 MAP2K2 (0.34) MAP2K1MAP2K2
SCHEMBL5403319 0.85 MAP2K1 (0.33) MAP2K1KDM4ETP53TSHRHSD17B10
SCHEMBL3979555 0.83 KDR (0.36) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL3973256 0.82 MAP2K1 (0.34) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL3974741 0.81 MAP2K1 (0.39) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL3976169 0.79 MAP2K1 (0.36) MAP2K1KDM4ETP53TSHRHSD17B10

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
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US claimed
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed