SCHEMBL14499985

SCHEMBL14499985

Bc1ccc(Nc2c(C(=O)NOCC3CC3)cn3c(N4CCCCC4)cnc3c2Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 10/20 0.43
RAF1 P04049 1/20 0.43
PDGFRB P09619 1/20 0.43
CSNK2A2 P19784 1/20 0.43
MAP2K2 P36507 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
CSNK2A3 Q8NEV1 1/20 0.43
AURKC Q9UQB9 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
CNR1 P21554 1/20 0.32
CSF1R P07333 2/20 0.31
IRAK4 Q9NWZ3 3/20 0.31
IRAK1 P51617 2/20 0.31
CNR2 P34972 2/20 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
SCHEMBL5406685 0.91 MAP2K1 (0.52) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14489490 0.84 MAP2K1 (0.49) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL3973115 0.84 MAP2K1 (0.51) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL15088154 0.84 MAP2K1 (0.51) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14489498 0.84 MAP2K1 (0.47) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL3971622 0.84 MAP2K1 (0.54) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL3979022 0.77 MAP2K1 (0.57) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL14489487 0.76 MAP2K1 (0.50) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL3971404 0.75 MAP2K1 (0.55) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2
SCHEMBL3974106 0.75 MAP2K1 (0.54) MAP2K1RAF1PDGFRBCSNK2A2MAP2K2

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
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed