SCHEMBL8769186

SCHEMBL8769186

COc1ncnc2c1ncn2CC(=O)O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT4 P35916 1/20 0.72
KDR P35968 1/20 0.72
HPGD P15428 1/20 0.47
CSNK2A2 P19784 2/20 0.47
CSNK2A1 P68400 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
EGFR P00533 2/20 0.45
DAPK1 P53355 1/20 0.44
PTGS2 P35354 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 1/20 0.43
P2RX7 Q99572 2/20 0.42
GALR3 O60755 1/20 0.41
NR2F2 P24468 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA2A P29274 1/20 0.39
ADORA1 P30542 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
SCHEMBL30377761 0.86 FLT4 (0.62) FLT4KDRHPGDCSNK2A2CSNK2A1
SCHEMBL28939516 0.83 FLT4 (0.62) FLT4KDRHPGDTAAR1EGFR
SCHEMBL1404491 0.80 DAPK1 (0.72) FLT4KDRHPGDEGFRDAPK1
SCHEMBL17364335 0.80 ADORA2A (0.60) FLT4KDRHPGDTAAR1DAPK1
SCHEMBL8768015 0.79 HSP90AB1 (0.52) FLT4KDRCSNK2A2CSNK2A1
SCHEMBL455646 0.78 P2RX7 (0.49) FLT4KDRCSNK2A2CSNK2A1EGFR
SCHEMBL23885424 0.77 P2RX7 (0.66) FLT4KDRCSNK2A2CSNK2A1EGFR
SCHEMBL22326733 0.77 ADORA2A (0.62) FLT4KDRHPGDTAAR1DAPK1
SCHEMBL1673251 0.77 EGFR (0.70) KDREGFRALDH1A1ADORA2BADORA2A
SCHEMBL30377640 0.77 ADCY5 (0.57) FLT4KDRHPGDTAAR1HDAC6

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