SCHEMBL7003324

SCHEMBL7003324

COc1ccccc1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.64
JAK2 O60674 1/20 0.64
JAK3 P52333 1/20 0.64
KDM4E B2RXH2 2/20 0.59
MAPT P10636 2/20 0.59
KDR P35968 1/20 0.58
CHEK1 O14757 1/20 0.58
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57

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
SCHEMBL6999366 0.84 JAK2 (0.69) IKBKBJAK2JAK3CHEK1
SCHEMBL3484473 0.82 KDR (0.76) IKBKBJAK2JAK3KDM4EMAPT
SCHEMBL7004222 0.81 JAK2 (0.69) IKBKBJAK2JAK3
SCHEMBL7006938 0.81 KDR (0.65) IKBKBJAK2JAK3KDM4EMAPT
SCHEMBL7004108 0.81 JAK2 (0.64) IKBKBJAK2JAK3
SCHEMBL6999862 0.81 JAK2 (0.64) IKBKBJAK2JAK3CHEK1
SCHEMBL7003244 0.80 JAK2 (0.63) IKBKBJAK2JAK3KDM4EMAPT
SCHEMBL7003842 0.80 JAK2 (0.63) IKBKBJAK2JAK3KDM4EMAPT
SCHEMBL6505282 0.80 MAPT (0.55) IKBKBJAK2JAK3KDM4EMAPT
SCHEMBL5898695 0.79 JAK2 (0.78) IKBKBJAK2JAK3

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 4 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
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US disclosed