SCHEMBL4632616

SCHEMBL4632616

O=C(O)Oc1cc2c(NC(=O)c3ccc(CN4CCC4)cc3)n[nH]c2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.46
ABL1 P00519 1/20 0.45
BCR P11274 1/20 0.45
HRH3 Q9Y5N1 2/20 0.43
KIT P10721 1/20 0.43
FLT3 P36888 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 1/20 0.41
HDAC4 P56524 1/20 0.41
KCNH2 Q12809 1/20 0.41
TBK1 Q9UHD2 1/20 0.40
HIF1A Q16665 3/20 0.39
EPAS1 Q99814 3/20 0.39
TNF P01375 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL4633324 0.98 ABL1 (0.47) KDRABL1BCRHRH3KIT
SCHEMBL4632623 0.97 ABL1 (0.48) KDRABL1BCRHRH3KIT
SCHEMBL4631770 0.97 ABL1 (0.48) KDRABL1BCRHRH3KIT
SCHEMBL4633604 0.93 HDAC1 (0.46) KDRABL1BCRHRH3KIT
SCHEMBL4632530 0.90 KDR (0.44) KDRABL1BCRKITFLT3
SCHEMBL2431903 0.87 ABL1 (0.58) KDRABL1BCRHRH3KIT
SCHEMBL3085794 0.86 ABL1 (0.50) KDRABL1BCRHRH3KIT
SCHEMBL2431020 0.85 ABL1 (0.60) KDRABL1BCRHRH3KIT
SCHEMBL3104562 0.84 ABL1 (0.52) KDRABL1BCRHRH3KIT
SCHEMBL2433994 0.84 ABL1 (0.61) KDRABL1BCRHRH3KIT

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