SCHEMBL5872798

SCHEMBL5872798

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C(=O)N2CCN(c3cccc(S(C)(=O)=O)c3)CC2)c(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.43
TNFRSF1A P19438 1/20 0.43
KDR P35968 1/20 0.43
MAP3K9 P80192 1/20 0.43
MAP2K2 P36507 4/20 0.41
MAP2K1 Q02750 4/20 0.41
SLC6A9 P48067 4/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
DRD2 P14416 2/20 0.38
GPR6 P46095 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MYC P01106 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5872767 0.90 MAP2K2 (0.38) AURKATNFRSF1AKDRMAP3K9MAP2K2
SCHEMBL5872893 0.83 KMT2A (0.40) MAP2K2MAP2K1ALDH1A1MEN1KMT2A
SCHEMBL5872799 0.82 MAP2K1 (0.49) MAP2K2MAP2K1MEN1KMT2ATDP1
SCHEMBL5872950 0.81 MAP2K1 (0.46) AURKATNFRSF1AKDRMAP3K9MAP2K2
SCHEMBL5872955 0.80 MAP2K1 (0.42) MAP2K2MAP2K1ALDH1A1MEN1KMT2A
SCHEMBL5872944 0.80 MAP2K1 (0.43) AURKATNFRSF1AKDRMAP3K9MAP2K2
SCHEMBL5872969 0.80 MAP2K1 (0.40) AURKATNFRSF1AKDRMAP3K9MAP2K2
SCHEMBL5872805 0.79 ALDH1A1 (0.51) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL5872758 0.79 MAP2K1 (0.47) AURKATNFRSF1AKDRMAP3K9MAP2K2
SCHEMBL5873116 0.79 MAP2K1 (0.48) MAP2K2MAP2K1MEN1KMT2ATDP1

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-7001905-B2 Substituted diarylamines as MEK inhibitors WARNER-LAMBERT COMPANY (US) 2006-02-21 US disclosed