SCHEMBL8768263

SCHEMBL8768263

CSc1ncnc2c1ncn2CC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
TSHR P16473 1/20 0.59
FLT4 P35916 1/20 0.45
KDR P35968 1/20 0.45
EGFR P00533 2/20 0.45
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2C9 P11712 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT6 P42226 1/20 0.43
HIF1A Q16665 1/20 0.43
CSNK2A2 P19784 2/20 0.43
CSNK2A1 P68400 2/20 0.43
TP53 P04637 1/20 0.43
LMNA P02545 1/20 0.43
P2RX7 Q99572 2/20 0.42
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ADORA2B P29275 1/20 0.40
CYP2C19 P33261 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
SCHEMBL7280569 0.80 CYP1A2 (0.53) CYP1A2TSHREGFRALDH1A1SMN1; SMN2
SCHEMBL7280561 0.80 CYP1A2 (0.53) CYP1A2TSHREGFRALDH1A1SMN1; SMN2
SCHEMBL23228237 0.80 CYP1A2 (0.72) CYP1A2TSHRSMN1; SMN2MAPK1TP53
SCHEMBL455646 0.78 P2RX7 (0.49) FLT4KDREGFRALDH1A1CSNK2A2
SCHEMBL1673251 0.77 EGFR (0.70) KDREGFRALDH1A1ADORA2B
SCHEMBL23885424 0.77 P2RX7 (0.66) FLT4KDREGFRALDH1A1CSNK2A2
SCHEMBL8769186 0.77 FLT4 (0.72) FLT4KDREGFRALDH1A1CSNK2A2
SCHEMBL8466930 0.74 CYP1A2 (0.72) CYP1A2TSHRALDH1A1SMN1; SMN2MAPK1
SCHEMBL9583631 0.72 CYP1A2 (0.48) CYP1A2TSHRFLT4KDRALDH1A1
SCHEMBL9583305 0.72 CYP1A2 (0.54) CYP1A2TSHRALDH1A1SMN1; SMN2HIF1A

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