SCHEMBL6997948

SCHEMBL6997948

NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.64
IKBKB O14920 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
EIF2AK2 P19525 1/20 0.64
TDP1 Q9NUW8 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
JAK3 P52333 1/20 0.63
MAPK8 P45983 1/20 0.59
KDM4E B2RXH2 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL7671566 0.90 MAPK8 (0.66) JAK2IKBKBMEN1KMT2AEIF2AK2
SCHEMBL7002506 0.89 JAK2 (0.64) JAK2IKBKBMEN1KMT2AJAK3
SCHEMBL7004193 0.84 MAPK8 (0.63) JAK2IKBKBMEN1KMT2AEIF2AK2
SCHEMBL7004307 0.84 JAK2 (0.63) JAK2IKBKBMEN1KMT2AJAK3
SCHEMBL5821206 0.80 JAK2 (0.72) JAK2IKBKBMEN1KMT2AJAK3
SCHEMBL5821205 0.80 JAK2 (0.72) JAK2IKBKBMEN1KMT2AJAK3
SCHEMBL7000699 0.80 JAK2 (0.64) JAK2IKBKBMEN1KMT2AJAK3
SCHEMBL717369 0.79 IKBKB (1.00) JAK2IKBKBMEN1KMT2AEIF2AK2
SCHEMBL1385889 0.78 JAK2 (1.00) JAK2IKBKBMEN1KMT2AEIF2AK2
SCHEMBL3614116 0.78 IKBKB (0.81) JAK2IKBKBMEN1KMT2AEIF2AK2

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-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
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US 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