SCHEMBL4632682

SCHEMBL4632682

NCc1ccc(C(=O)Nc2n[nH]c3sc(OC(=O)O)cc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.38
FLT3 P36888 3/20 0.38
HDAC3 O15379 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
FGFR1 P11362 2/20 0.38
FGFR2 P21802 2/20 0.38
FGFR3 P22607 2/20 0.38
HDAC1 Q13547 1/20 0.38
CDK7 P50613 3/20 0.37
KIT P10721 1/20 0.37
TNIK Q9UKE5 1/20 0.36
PLAU P00749 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
SCHEMBL4632670 0.86 FLT3 (0.51) HDAC6FLT3HDAC3FGFR1FGFR2
SCHEMBL4633594 0.86 FGFR1 (0.48) HDAC6FLT3FGFR1FGFR2FGFR3
SCHEMBL4632650 0.85 HDAC6 (0.42) HDAC6FLT3FGFR1FGFR2FGFR3
SCHEMBL4633592 0.84 HDAC6 (0.40) HDAC6FLT3HDAC3NCOR2FGFR1
SCHEMBL4631749 0.84 CDK2 (0.49) HDAC6FGFR1FGFR2FGFR3CDK7
SCHEMBL4632616 0.84 KDR (0.46) HDAC6FLT3HDAC1KITTNIK
SCHEMBL4633207 0.84 HDAC6 (0.45) HDAC6FLT3FGFR1FGFR2FGFR3
SCHEMBL4633324 0.84 ABL1 (0.47) HDAC6FLT3HDAC1KIT
SCHEMBL4632622 0.83 HDAC6 (0.53) HDAC6FLT3CDK7
SCHEMBL4631770 0.83 ABL1 (0.48) HDAC6FLT3HDAC1KIT

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