SCHEMBL21160643

SCHEMBL21160643

CC(C)N1CCC[C@H]1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)c(F)c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 19/20 0.75
PARP2 Q9UGN5 8/20 0.71
MAP4K4 O95819 2/20 0.63
CSF1R P07333 2/20 0.63
PIM1 P11309 2/20 0.63
CLK2 P49760 2/20 0.63
MAP4K2 Q12851 2/20 0.63
DYRK1A Q13627 2/20 0.63
MINK1 Q8N4C8 2/20 0.63
AURKB Q96GD4 2/20 0.63
MAP4K5 Q9Y4K4 2/20 0.63
DYRK3 O43781 1/20 0.63
PRKD3 O94806 1/20 0.63
INSR P06213 1/20 0.63
IRAK1 P51617 1/20 0.63
PRKCD Q05655 1/20 0.63
MELK Q14680 1/20 0.63
PRKD2 Q9BZL6 1/20 0.63
CLK4 Q9HAZ1 1/20 0.63
IRAK4 Q9NWZ3 1/20 0.63

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
SCHEMBL4975669 1.00 PARP1 (0.75) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4970527 0.90 PARP1 (0.64) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4974077 0.87 PARP1 (0.65) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4969237 0.87 PARP1 (0.65) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL21155205 0.86 PARP1 (0.64) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL9988497 0.86 PARP1 (0.66) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4971257 0.86 PARP1 (1.00) PARP1PARP2
SCHEMBL4971044 0.85 PARP1 (0.66) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4971680 0.85 PARP1 (0.65) PARP1PARP2MAP4K4CSF1RPIM1
SCHEMBL4968129 0.85 PARP1 (0.75) PARP1PARP2MAP4K4CSF1RPIM1

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-2019136298-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR TREATMENT OF DISEASES INVOLVING ACIDIC OR HYPOXIC DISEASED TISSUES Cybrexa, Inc. (US) 2019-07-11 WO disclosed