SCHEMBL7004193

SCHEMBL7004193

NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1ccccc1F

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.63
JAK2 O60674 3/20 0.63
IKBKB O14920 2/20 0.63
JAK3 P52333 1/20 0.63
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58
EIF2AK2 P19525 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL7000699 0.87 JAK2 (0.64) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL6997948 0.84 JAK2 (0.64) MAPK8JAK2IKBKBJAK3MEN1
SCHEMBL7671566 0.83 MAPK8 (0.66) MAPK8JAK2IKBKBJAK3MEN1
SCHEMBL5821205 0.80 JAK2 (0.72) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL5821206 0.80 JAK2 (0.72) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL7002506 0.80 JAK2 (0.64) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL3618376 0.79 CHEK1 (0.66) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL7004307 0.79 JAK2 (0.63) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL1385889 0.78 JAK2 (1.00) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL13357600 0.77 ROCK1 (0.55) MAPK8MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1294707-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2003-03-26 EP claimed
WO-2001098290-A2 THIOPHENE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2001-12-27 WO claimed