SCHEMBL4633601

SCHEMBL4633601

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.42
KIT P10721 3/20 0.42
HDAC6 Q9UBN7 6/20 0.35
FGFR1 P11362 3/20 0.35
LRRK2 Q5S007 1/20 0.35
CDC7 O00311 1/20 0.34
DAPK3 O43293 1/20 0.34
ROCK2 O75116 1/20 0.34
MAP4K4 O95819 1/20 0.34
PAK4 O96013 1/20 0.34
PRKACA P17612 1/20 0.34
CDK2 P24941 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CLK2 P49760 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
PRKX P51817 1/20 0.34
JAK3 P52333 1/20 0.34
CDK5 Q00535 1/20 0.34
MAP4K2 Q12851 1/20 0.34

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
SCHEMBL4633207 0.91 HDAC6 (0.45) FLT3KITHDAC6FGFR1HDAC1
SCHEMBL4632670 0.90 FLT3 (0.51) FLT3KITHDAC6FGFR1LRRK2
SCHEMBL3090928 0.87 FLT3 (0.42) FLT3KITHDAC6LRRK2CDC7
SCHEMBL4632536 0.83 FLT3 (0.51) FLT3KITHDAC6FGFR1CDC7
SCHEMBL4632682 0.83 HDAC6 (0.38) FLT3KITHDAC6FGFR1CDK7
SCHEMBL4631888 0.81 NPC1 (0.42) HDAC6FGFR1LRRK2RXFP1MEN1
SCHEMBL4633594 0.80 FGFR1 (0.48) FLT3HDAC6FGFR1MAP4K4CDK2
SCHEMBL4632622 0.80 HDAC6 (0.53) FLT3HDAC6CDK2CDK7TP53
SCHEMBL2432182 0.80 AURKA (0.41) FLT3KITHDAC6FGFR1HDAC1
SCHEMBL4632650 0.80 HDAC6 (0.42) FLT3HDAC6FGFR1CDC7DAPK3

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