SCHEMBL8768015

SCHEMBL8768015

COc1nc(N)nc2c1ncn2CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 13/20 0.52
HSP90AA1 P07900 12/20 0.52
FLT4 P35916 1/20 0.48
KDR P35968 1/20 0.48
CYP2C19 P33261 1/20 0.47
CDK1 P06493 2/20 0.44
CCNB1 P14635 2/20 0.44
CCNE1 P24864 2/20 0.44
CDK2 P24941 2/20 0.44
CSNK2A2 P19784 2/20 0.43
CSNK2A1 P68400 2/20 0.43
HSP90B1 P14625 1/20 0.41
TRAP1 Q12931 1/20 0.41

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
SCHEMBL17364319 0.81 CDK1 (0.67) HSP90AB1HSP90AA1CDK1CCNB1CCNE1
SCHEMBL1672138 0.81 CDK1 (0.62) HSP90AB1HSP90AA1CYP2C19CDK1CCNB1
SCHEMBL30052313 0.81 CDK1 (0.62) HSP90AB1HSP90AA1CYP2C19CDK1CCNB1
SCHEMBL2153643 0.81 MGMT (0.54) FLT4KDRCYP2C19CDK1CCNB1
SCHEMBL2153079 0.80 HDAC6 (0.56) HSP90AB1HSP90AA1CYP2C19
SCHEMBL8769186 0.79 FLT4 (0.72) FLT4KDRCSNK2A2CSNK2A1
SCHEMBL9388321 0.79 CYP2C19 (0.47) CYP2C19CDK1CCNB1CCNE1CDK2
SCHEMBL8781614 0.78 HSP90AB1 (0.47) HSP90AB1HSP90AA1CYP2C19CDK1CCNB1
SCHEMBL7745006 0.77 HSP90AB1 (0.51) HSP90AB1HSP90AA1CYP2C19CDK1CCNB1
SCHEMBL13037058 0.76 CYP2C19 (0.46) CYP2C19CDK1CCNB1CCNE1CDK2

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-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 EP disclosed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 WO disclosed