SCHEMBL13636529

SCHEMBL13636529

Bc1ccc(Nc2c(C(=O)NOCCCSC)cc3c(ncn3C)c2F)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.66
MAP2K2 P36507 3/20 0.66
CSNK2A2 P19784 2/20 0.66
SMC2 O95347 1/20 0.66
EGFR P00533 1/20 0.66
SMC1A Q14683 1/20 0.66
AAK1 Q2M2I8 1/20 0.66
Q6ZSR9 Q6ZSR9 1/20 0.66
BMP2K Q9NSY1 1/20 0.66
ABCB11 O95342 1/20 0.57
NQO2 P16083 1/20 0.57
BRAF P15056 5/20 0.39
RAF1 P04049 1/20 0.35
PDGFRB P09619 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CSNK2A3 Q8NEV1 1/20 0.35
AURKC Q9UQB9 1/20 0.35
CAMK2A Q9UQM7 1/20 0.35

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
SCHEMBL4546013 0.91 MAP2K1 (0.81) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL19366337 0.90 MAP2K1 (0.81) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL8064111 0.88 MAP2K1 (0.68) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL8071563 0.88 MAP2K1 (0.67) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL8064112 0.87 MAP2K1 (0.66) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL13825514 0.87 MAP2K1 (0.67) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL4545993 0.86 MAP2K1 (0.83) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL12957312 0.85 MAP2K1 (0.65) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL18752730 0.85 MAP2K1 (0.68) MAP2K1MAP2K2CSNK2A2SMC2EGFR
SCHEMBL19141641 0.85 MAP2K1 (0.61) MAP2K1MAP2K2CSNK2A2SMC2EGFR

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-1482932-B1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2009-11-25 EP disclosed