SCHEMBL4632623

SCHEMBL4632623

O=C(O)Oc1cc2c(NC(=O)c3ccc(CN4CCCCCC4)cc3)n[nH]c2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.48
BCR P11274 1/20 0.48
HRH3 Q9Y5N1 2/20 0.47
KDR P35968 1/20 0.45
HDAC1 Q13547 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TNF P01375 1/20 0.43
CYP2C9 P11712 2/20 0.43
LMNA P02545 1/20 0.42
KMT2A Q03164 1/20 0.42
KIT P10721 1/20 0.42
FLT3 P36888 1/20 0.42
HPGD P15428 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
F10 P00742 2/20 0.41
RAB9A P51151 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL4631770 1.00 ABL1 (0.48) ABL1BCRHRH3KDRHDAC1
SCHEMBL4633324 0.99 ABL1 (0.47) ABL1BCRHRH3KDRHDAC1
SCHEMBL4632616 0.97 KDR (0.46) ABL1BCRHRH3KDRHDAC1
SCHEMBL4633604 0.92 HDAC1 (0.46) ABL1BCRHRH3KDRHDAC1
SCHEMBL4632530 0.89 KDR (0.44) ABL1BCRKDRHDAC1HDAC6
SCHEMBL2439137 0.87 ABL1 (0.61) ABL1BCRHRH3KDRHDAC1
SCHEMBL2433994 0.87 ABL1 (0.61) ABL1BCRHRH3KDRHDAC1
SCHEMBL3085713 0.87 ABL1 (0.53) ABL1BCRHRH3KDRHDAC1
SCHEMBL3106720 0.87 ABL1 (0.53) ABL1BCRHRH3KDRHDAC1
SCHEMBL2431020 0.86 ABL1 (0.60) ABL1BCRHRH3KDRHDAC1

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