SCHEMBL6944113

SCHEMBL6944113

O=C(O)c1ccc(F)c(F)c1Nc1ccc(-n2ccnc2)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 4/20 0.59
MAP2K2 P36507 3/20 0.48
ADH5 P11766 6/20 0.47
TNIK Q9UKE5 3/20 0.43
STING1 Q86WV6 1/20 0.42
IDO1 P14902 1/20 0.41
RAF1 P04049 1/20 0.39
PDGFRB P09619 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
AURKC Q9UQB9 1/20 0.39
CAMK2A Q9UQM7 1/20 0.39
NOTUM Q6P988 1/20 0.39
DHODH Q02127 1/20 0.39
F9 P00740 1/20 0.38
KAT5 Q92993 1/20 0.38

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
SCHEMBL6948718 0.88 MAP2K1 (0.48) MAP2K1MAP2K2ADH5TNIKSTING1
SCHEMBL15924858 0.78 ADH5 (0.64) ADH5IDO1NOTUMDHODHF9
SCHEMBL6952054 0.78 TNIK (0.42) MAP2K1MAP2K2ADH5TNIKF9
SCHEMBL1488147 0.75 MAP2K1 (0.73) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL22428819 0.75 MAP2K1 (0.73) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL29413453 0.75 MAP2K1 (0.73) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
Zapnometinib SCHEMBL1488782 0.75 MAP2K1 (1.00) MAP2K1MAP2K2IDO1RAF1PDGFRB
Zapnometinib SCHEMBL29362260 0.75 MAP2K1 (1.00) MAP2K1MAP2K2IDO1RAF1PDGFRB
Zapnometinib SCHEMBL30298104 0.75 MAP2K1 (1.00) MAP2K1MAP2K2IDO1RAF1PDGFRB
SCHEMBL23532463 0.72 NOTUM (0.62) ADH5IDO1NOTUM

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP claimed
JP-2003504401-A 2003-02-04 JP claimed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP claimed
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP claimed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO claimed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO claimed
EP-1202724-B1 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER LAMBERT CO (US) 2003-10-01 EP disclosed
EP-1202724-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-05-08 EP disclosed
EP-1150950-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2001-11-07 EP disclosed
WO-2001005393-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000041505-A2 ANTHRANILIC ACID DERIVATIVES WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed