SCHEMBL7001041

SCHEMBL7001041

NC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.66
IKBKB O14920 1/20 0.66
JAK3 P52333 1/20 0.66
MAPT P10636 2/20 0.64
ALDH1A1 P00352 2/20 0.64
NPC1 O15118 1/20 0.64
TP53 P04637 1/20 0.64
RAB9A P51151 1/20 0.64
MAPK10 P53779 1/20 0.64
SMN1; SMN2 Q16637 1/20 0.64
HSD17B10 Q99714 1/20 0.64
KDM4E B2RXH2 1/20 0.60
MEN1 O00255 1/20 0.60
HPGD P15428 1/20 0.60
KMT2A Q03164 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
KDR P35968 1/20 0.56

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
SCHEMBL5821205 0.82 JAK2 (0.72) JAK2IKBKBJAK3MAPTKDM4E
SCHEMBL5821206 0.82 JAK2 (0.72) JAK2IKBKBJAK3MAPTKDM4E
SCHEMBL24489136 0.81 MAPT (0.62) MAPTALDH1A1NPC1TP53RAB9A
SCHEMBL1385889 0.80 JAK2 (1.00) JAK2IKBKBJAK3MEN1KMT2A
SCHEMBL1798467 0.78 NPSR1 (0.64) JAK2IKBKBJAK3MAPTALDH1A1
SCHEMBL6614249 0.78 JAK2 (0.78) JAK2IKBKBJAK3
SCHEMBL5898695 0.78 JAK2 (0.78) JAK2IKBKBJAK3
SCHEMBL7002506 0.77 JAK2 (0.64) JAK2IKBKBJAK3MAPTKDM4E
SCHEMBL7000699 0.77 JAK2 (0.64) JAK2IKBKBJAK3MAPTKDM4E
SCHEMBL6997948 0.76 JAK2 (0.64) JAK2IKBKBJAK3MAPTKDM4E

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