SCHEMBL4633207

SCHEMBL4633207

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 8/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
FLT3 P36888 6/20 0.41
KIT P10721 5/20 0.41
AURKA O14965 2/20 0.36
NTRK1 P04629 1/20 0.35
INSR P06213 1/20 0.35
IGF1R P08069 1/20 0.35
AURKB Q96GD4 1/20 0.35
ALK Q9UM73 1/20 0.35
KDR P35968 1/20 0.35
FGFR1 P11362 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35

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 0.91 FLT3 (0.42) HDAC6HDAC1HDAC8FLT3KIT
SCHEMBL4632670 0.89 FLT3 (0.51) HDAC6HDAC1FLT3KITFGFR1
SCHEMBL2432182 0.87 AURKA (0.41) HDAC6HDAC1HDAC8FLT3KIT
SCHEMBL3093101 0.86 HDAC6 (0.46) HDAC6HDAC1HDAC8FLT3KIT
SCHEMBL4632682 0.84 HDAC6 (0.38) HDAC6HDAC1FLT3KITFGFR1
SCHEMBL4631888 0.82 NPC1 (0.42) HDAC6FGFR1FGFR2FGFR3
SCHEMBL4632536 0.82 FLT3 (0.51) HDAC6FLT3KITNTRK1FGFR1
SCHEMBL4633594 0.81 FGFR1 (0.48) HDAC6FLT3AURKAFGFR1FGFR2
SCHEMBL4632622 0.81 HDAC6 (0.53) HDAC6FLT3AURKA
SCHEMBL4632650 0.80 HDAC6 (0.42) HDAC6FLT3NTRK1FGFR1FGFR2

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