SCHEMBL7003892

SCHEMBL7003892

Cc1ccc(C(=O)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1O

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.62
IKBKB O14920 1/20 0.62
JAK2 O60674 1/20 0.62
JAK3 P52333 1/20 0.62
MAPT P10636 3/20 0.60
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
NPSR1 Q6W5P4 2/20 0.60
KDM4E B2RXH2 2/20 0.60
POLB P06746 1/20 0.60
PTPN5 P54829 1/20 0.57
ALDH1A1 P00352 1/20 0.55
GAA P10253 1/20 0.55
HPGD P15428 1/20 0.55
HTT P42858 1/20 0.55
TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL6999867 0.83 JAK2 (0.63) IKBKBJAK2JAK3
SCHEMBL17318541 0.82 KDR (0.69) KDRIKBKBJAK2JAK3MAPT
SCHEMBL6999862 0.81 JAK2 (0.64) IKBKBJAK2JAK3
SCHEMBL7004108 0.81 JAK2 (0.64) IKBKBJAK2JAK3
SCHEMBL7004367 0.81 KDR (0.70) KDRIKBKBJAK2JAK3MAPT
SCHEMBL3484473 0.81 KDR (0.76) KDRIKBKBJAK2JAK3MAPT
SCHEMBL7003244 0.81 JAK2 (0.63) IKBKBJAK2JAK3MAPTNPC1
SCHEMBL7003842 0.81 JAK2 (0.63) IKBKBJAK2JAK3MAPTNPC1
SCHEMBL6996032 0.80 JAK2 (0.66) KDRIKBKBJAK2JAK3MAPT
SCHEMBL7006938 0.80 KDR (0.65) KDRIKBKBJAK2JAK3MAPT

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