SCHEMBL6663895

SCHEMBL6663895

[2H]c1ccc(-c2cc(C(N)=O)c3n2CCN(C(=O)OC(C)(C)C)C3)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.41
PARP1 P09874 1/20 0.40
ESR2 Q92731 1/20 0.38
F12 P00748 1/20 0.37
PARP14 Q460N5 1/20 0.37
MAPK1 P28482 1/20 0.37
KIT P10721 1/20 0.37
SCD5 Q86SK9 1/20 0.37
CSNK1E P49674 5/20 0.36
POLB P06746 1/20 0.36
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
GPR119 Q8TDV5 2/20 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
SCHEMBL4038413 0.93 NR1H2 (0.43) NR1H2PARP1ESR2MAPK1KIT
SCHEMBL4041722 0.85 KIT (0.48) NR1H2PARP1KITCSNK1EPOLB
SCHEMBL4041973 0.79 NR1H2 (0.45) NR1H2PARP1ESR2F12PARP14
SCHEMBL31482 0.78 NR1H2 (0.44) NR1H2PARP1ESR2F12PARP14
SCHEMBL4037481 0.76 GPR119 (0.40) NR1H2PARP1F12KITPOLB
SCHEMBL31481 0.75 NR1H2 (0.42) NR1H2PARP1ESR2CSNK1EGPR119
SCHEMBL4039705 0.74 NR1H2 (0.42) NR1H2ESR2MAPK1KITSCD5
SCHEMBL4039629 0.71 USP2 (0.40) NR1H2PARP1ESR2CSNK1EGPR119
SCHEMBL31445 0.70 NR1H2 (0.44) NR1H2PARP1ESR2F12PARP14
SCHEMBL4038552 0.69 CSNK1E (0.52) NR1H2CSNK1E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436291-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS Aventis Pharma S.A. (FR) 2004-07-14 EP disclosed
WO-2003024967-A2 INDOLIZINES AS KINASE PROTEIN INHIBITORS AVENTIS PHARMA S.A. (FR) 2003-03-27 WO disclosed