SCHEMBL8306510

SCHEMBL8306510

COCCOCCN1CCN(Cc2ccc3c(c2)-c2n[nH]c(=O)c4cccc(c24)O3)CC1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 17/20 0.90
PIM1 P11309 1/20 0.76
CSNK1D P48730 1/20 0.76
AURKA O14965 1/20 0.39
MAP4K4 O95819 1/20 0.39
LCK P06239 1/20 0.39
CSF1R P07333 1/20 0.39
LYN P07948 1/20 0.39
RET P07949 1/20 0.39
FGFR1 P11362 1/20 0.39
FLT1 P17948 1/20 0.39
FLT4 P35916 1/20 0.39
KDR P35968 1/20 0.39
CLK2 P49760 1/20 0.39
BLK P51451 1/20 0.39
KCNH2 Q12809 1/20 0.39
CAMK2B Q13554 1/20 0.39
CAMK2G Q13555 1/20 0.39
CAMK2D Q13557 1/20 0.39
MELK Q14680 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
SCHEMBL62121 0.95 PARP1 (1.00) PARP1PIM1CSNK1DKMT2A
SCHEMBL61598 0.92 PARP1 (0.82) PARP1PIM1CSNK1DKMT2A
SCHEMBL52020 0.91 PARP1 (0.79) PARP1PIM1CSNK1D
SCHEMBL10035767 0.87 PIM1 (0.82) PARP1PIM1CSNK1DKMT2A
SCHEMBL61589 0.87 PIM1 (0.85) PARP1PIM1CSNK1DKMT2A
SCHEMBL29496129 0.86 PIM1 (1.00) PARP1PIM1CSNK1D
SCHEMBL51064 0.86 PIM1 (1.00) PARP1PIM1CSNK1D
SCHEMBL1319786 0.86 PIM1 (0.84) PARP1PIM1CSNK1D
SCHEMBL51776 0.85 PIM1 (0.82) PARP1PIM1CSNK1DKMT2A
SCHEMBL51663 0.85 PIM1 (0.85) PARP1PIM1CSNK1DKMT2A

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
WO-2004105700-A2 COMPOUNDS, METHODS AND PHARMACEUTICAL COMPOSITIONS FOR INHIBITING PARP GUILDFORD PHARMACEUTICALS, INC. (US) 2004-12-09 WO disclosed