SCHEMBL7004307

SCHEMBL7004307

NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1cccc(O)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.63
IKBKB O14920 1/20 0.63
JAK3 P52333 1/20 0.63
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
HPGD P15428 1/20 0.58
KMT2A Q03164 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
SCHEMBL7002506 0.89 JAK2 (0.64) JAK2IKBKBJAK3KDM4EMEN1
SCHEMBL7671566 0.87 MAPK8 (0.66) JAK2IKBKBJAK3KDM4EMEN1
SCHEMBL6997948 0.84 JAK2 (0.64) JAK2IKBKBJAK3KDM4EMEN1
SCHEMBL7000699 0.82 JAK2 (0.64) JAK2IKBKBJAK3KDM4EMEN1
SCHEMBL5821205 0.80 JAK2 (0.72) JAK2IKBKBJAK3KDM4EMEN1
SCHEMBL5821206 0.80 JAK2 (0.72) JAK2IKBKBJAK3KDM4EMEN1
SCHEMBL7004193 0.79 MAPK8 (0.63) JAK2IKBKBJAK3KDM4EMEN1
SCHEMBL1385889 0.78 JAK2 (1.00) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL27414329 0.77 ALDH1A1 (0.69) KDM4EMEN1MAPTHPGDKMT2A
SCHEMBL5898706 0.77 IKBKB (0.63) JAK2IKBKBJAK3MEN1KMT2A

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