SCHEMBL6948718

SCHEMBL6948718

Cc1cc(-n2ccnc2)ccc1Nc1c(C(=O)O)ccc(F)c1F

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.48
MAP2K2 P36507 1/20 0.48
ADH5 P11766 6/20 0.47
TNIK Q9UKE5 4/20 0.43
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
PDE4C Q08493 1/20 0.42
PDE4D Q08499 1/20 0.42
STING1 Q86WV6 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
DHODH Q02127 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6952054 0.90 TNIK (0.42) MAP2K1MAP2K2ADH5TNIKPDE4A
SCHEMBL6944113 0.88 MAP2K1 (0.59) MAP2K1MAP2K2ADH5TNIKSTING1
SCHEMBL6952545 0.83 MAP2K1 (0.50) MAP2K1MAP2K2MEN1KMT2A
SCHEMBL6945667 0.81 MAP2K1 (0.56) MAP2K1MAP2K2MEN1MAPK1KMT2A
SCHEMBL3850436 0.78 ADH5 (0.67) ADH5PDE4APDE4BPDE4CPDE4D
SCHEMBL6035670 0.75 MAP2K1 (0.59) MAP2K1MAP2K2MAPTMEN1MAPK1
SCHEMBL4851710 0.75 MAP2K1 (0.78) MAP2K1MAP2K2MEN1KMT2A
SCHEMBL29425477 0.75 MAP2K1 (0.78) MAP2K1MAP2K2MEN1KMT2A
SCHEMBL6948250 0.73 MAP2K1 (0.56) MAP2K1MAP2K2MAPTDHODHMEN1
SCHEMBL4733021 0.73 MAP2K1 (0.52) MAP2K1MAP2K2DHODHMEN1KMT2A

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 6 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