SCHEMBL5401946

SCHEMBL5401946

O=C(NOCC1CC1)c1cn2c(CN3CCNCC3)cnc2c(Cl)c1Nc1ccc(Br)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.49
CSNK2A2 P19784 2/20 0.41
MAP2K2 P36507 2/20 0.41
RAF1 P04049 1/20 0.41
PDGFRB P09619 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
AURKC Q9UQB9 1/20 0.41
CAMK2A Q9UQM7 1/20 0.41
SMC2 O95347 1/20 0.37
EGFR P00533 1/20 0.37
SMC1A Q14683 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
Q6ZSR9 Q6ZSR9 1/20 0.37
BMP2K Q9NSY1 1/20 0.37
PTK6 Q13882 3/20 0.36
LCK P06239 1/20 0.33
AURKB Q96GD4 1/20 0.33
MEN1 O00255 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
SCHEMBL3973358 0.91 MAP2K1 (0.53) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL3974326 0.91 MAP2K1 (0.49) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL15088154 0.88 MAP2K1 (0.51) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL3973143 0.87 MAP2K1 (0.47) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL3974106 0.86 MAP2K1 (0.54) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL3974230 0.85 MAP2K1 (0.54) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL5412500 0.84 MAP2K1 (0.59) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL3979022 0.84 MAP2K1 (0.57) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB
SCHEMBL13842002 0.82 MAP2K1 (0.50) MAP2K1CSNK2A2MAP2K2SMC2EGFR
SCHEMBL5406685 0.82 MAP2K1 (0.52) MAP2K1CSNK2A2MAP2K2RAF1PDGFRB

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