SCHEMBL7004638

SCHEMBL7004638

NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccnc1Cl

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.62
JAK3 P52333 3/20 0.62
IKBKB O14920 1/20 0.62

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
SCHEMBL7004222 0.84 JAK2 (0.69) JAK2JAK3IKBKB
SCHEMBL6999366 0.80 JAK2 (0.69) JAK2JAK3IKBKB
SCHEMBL6999862 0.79 JAK2 (0.64) JAK2JAK3IKBKB
SCHEMBL7004367 0.79 KDR (0.70) JAK2JAK3IKBKB
SCHEMBL6998803 0.79 KDR (0.61) JAK2JAK3IKBKB
SCHEMBL27728262 0.78 TDP1 (0.58)
SCHEMBL6996032 0.78 JAK2 (0.66) JAK2JAK3IKBKB
SCHEMBL1385889 0.77 JAK2 (1.00) JAK2JAK3IKBKB
SCHEMBL7004108 0.77 JAK2 (0.64) JAK2JAK3IKBKB
SCHEMBL7003324 0.77 IKBKB (0.64) JAK2JAK3IKBKB

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