SCHEMBL7002672

SCHEMBL7002672

COc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 1.00
GRIN2C Q14957 1/20 0.64
KMT2A Q03164 3/20 0.64
MEN1 O00255 2/20 0.64
RECQL P46063 1/20 0.64
RAB9A P51151 6/20 0.61
NPC1 O15118 5/20 0.61
ALDH1A1 P00352 6/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
MAPT P10636 7/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 3/20 0.54
HPGD P15428 3/20 0.54
LMNA P02545 1/20 0.54
TP53 P04637 3/20 0.54
HSD17B10 Q99714 2/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
CASP1 P29466 1/20 0.54
CASP7 P55210 1/20 0.54

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
SCHEMBL6998742 0.91 FLT3 (0.83) FLT3GRIN2CKMT2AMEN1RECQL
SCHEMBL8288778 0.85 FLT3 (0.73) FLT3GRIN2CKMT2AMEN1RECQL
SCHEMBL7003164 0.82 FLT3 (0.70) FLT3GRIN2CKMT2AMEN1RAB9A
SCHEMBL6996786 0.82 FLT3 (0.70) FLT3GRIN2CKMT2AMEN1RAB9A
SCHEMBL7003277 0.82 FLT3 (0.69) FLT3GRIN2CKMT2AMEN1RAB9A
SCHEMBL7001753 0.82 FLT3 (0.69) FLT3GRIN2CKMT2AMEN1RAB9A
SCHEMBL7004549 0.81 FLT3 (0.68) FLT3GRIN2CKMT2AMEN1RAB9A
SCHEMBL268458 0.79 FLT3 (0.65) FLT3KMT2AMEN1RECQLRAB9A
SCHEMBL7902809 0.78 GRIN2C (1.00) FLT3GRIN2CKMT2AMEN1RAB9A
SCHEMBL24425732 0.78 FLT3 (1.00) FLT3KMT2AMEN1RECQLRAB9A

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