SCHEMBL1021500

SCHEMBL1021500

CCn1c(Nc2ccc(Br)cc2F)c(OC(=O)NOCCO)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.53
MAP2K2 P36507 5/20 0.48
ABCB11 O95342 1/20 0.44
NQO2 P16083 1/20 0.44
MAP2K5 Q13163 1/20 0.41
EIF2AK1 Q9BQI3 1/20 0.41

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
SCHEMBL1021655 0.89 MAP2K1 (0.57) MAP2K1MAP2K2ABCB11NQO2MAP2K5
SCHEMBL392817 0.85 MAP2K1 (0.65) MAP2K1MAP2K2ABCB11NQO2MAP2K5
SCHEMBL1023540 0.81 MAP2K1 (0.57) MAP2K1MAP2K2ABCB11NQO2MAP2K5
SCHEMBL15234327 0.78 KCNH2 (0.59) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL1022422 0.78 MAP2K1 (0.49) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL14631994 0.77 MAP2K1 (0.54) MAP2K1MAP2K2ABCB11NQO2MAP2K5
SCHEMBL1023513 0.75 MAP2K1 (0.59) MAP2K1MAP2K2MAP2K5
SCHEMBL15463553 0.75 MAP2K1 (0.74) MAP2K1MAP2K2ABCB11NQO2
SCHEMBL388540 0.75 MAP2K1 (0.46) MAP2K1MAP2K2
SCHEMBL388837 0.75 MAP2K1 (0.69) MAP2K1MAP2K2ABCB11NQO2MAP2K5

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-2251327-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2014-02-12 EP claimed
EP-1682138-B3 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2013-01-09 EP claimed
EP-1682138-B1 HETEROCYCLIC INHIBITORS OF MEK ARRAY BIOPHARMA INC (US) 2011-01-12 EP claimed