SCHEMBL6231013

SCHEMBL6231013

Cc1cc(I)ccc1Nc1cc(F)ccc1C(=O)NOC(C)C

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.53
IDO1 P14902 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAP2K2 P36507 4/20 0.40
MAP2K5 Q13163 1/20 0.39
EIF2AK1 Q9BQI3 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
SCHEMBL4851804 0.89 MAP2K1 (0.54) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL4857226 0.88 MAP2K1 (0.52) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL4860279 0.87 MAP2K1 (0.55) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL5382213 0.87 MAP2K1 (0.59) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL4861835 0.87 MAP2K1 (0.50) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL4862527 0.85 MAP2K1 (0.52) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL4862685 0.85 MAP2K1 (0.51) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL4862262 0.85 MAP2K1 (0.56) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL6035638 0.84 MAP2K1 (0.54) MAP2K1IDO1MEN1KMT2ATDP1
SCHEMBL4857251 0.83 MAP2K1 (0.74) MAP2K1MAP2K2MAP2K5EIF2AK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140291-B1 COMBINATION CHEMOTHERAPY COMPRISING A MITOTIC INHIBITOR AND A MEK INHIBITOR WARNER LAMBERT CO (US) 2005-11-23 EP disclosed
EP-1140062-B1 TREATMENT OF ASTHMA WITH MEK INHIBITORS WARNER LAMBERT CO (US) 2005-04-06 EP disclosed
EP-0993439-B1 4-BROMO OR 4-IODO PHENYLAMINO BENZHYDROXAMIC ACID DERIVATIVES AND THEIR USE AS MEK INHIBITORS WARNER LAMBERT CO (US) 2004-09-29 EP disclosed