SCHEMBL4632670

SCHEMBL4632670

CN(C)Cc1ccc(C(=O)Nc2n[nH]c3sc(OC(=O)O)cc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.51
KIT P10721 3/20 0.51
LRRK2 Q5S007 1/20 0.42
FOXO1 Q12778 1/20 0.41
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
IKBKE Q14164 1/20 0.39
TBK1 Q9UHD2 1/20 0.39
FGFR1 P11362 4/20 0.39
FGFR2 P21802 2/20 0.37
CTNNB1 P35222 1/20 0.37
TCF7L2 Q9NQB0 1/20 0.37
F10 P00742 1/20 0.37
KLKB1 P03952 1/20 0.37
HDAC6 Q9UBN7 3/20 0.36
CLK2 P49760 2/20 0.36
DYRK1A Q13627 2/20 0.36
CDC7 O00311 1/20 0.36
DAPK3 O43293 1/20 0.36

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
SCHEMBL4633601 0.90 FLT3 (0.42) FLT3KITLRRK2HDAC3HDAC1
SCHEMBL4633207 0.89 HDAC6 (0.45) FLT3KITHDAC1FGFR1FGFR2
SCHEMBL2432388 0.87 FLT3 (0.47) FLT3KITLRRK2FOXO1HDAC3
SCHEMBL4632682 0.86 HDAC6 (0.38) FLT3KITHDAC3HDAC1FGFR1
SCHEMBL4632536 0.86 FLT3 (0.51) FLT3KITFGFR1FGFR2HDAC6
SCHEMBL3102304 0.85 FLT3 (0.50) FLT3KITLRRK2FOXO1HDAC3
SCHEMBL4633594 0.84 FGFR1 (0.48) FLT3FGFR1FGFR2HDAC6CLK2
SCHEMBL4632622 0.83 HDAC6 (0.53) FLT3HDAC6CDK2CDK7
SCHEMBL4632650 0.83 HDAC6 (0.42) FLT3FGFR1FGFR2HDAC6CLK2
SCHEMBL4631888 0.82 NPC1 (0.42) LRRK2FGFR1FGFR2HDAC6FGFR3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1711177-B1 1H-THIENO 2,3-c PYRAZOLE DERIVATIVES USEFUL AS KINASE I INHIBITORS PFIZER ITALIA SRL (IT) 2008-05-28 EP claimed