SCHEMBL25452008

SCHEMBL25452008

O=C1NCCc2c(Nc3ccncc3)cccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 8/20 0.51
PARP11 Q9NR21 8/20 0.51
PARP1 P09874 8/20 0.51
CDC7 O00311 2/20 0.42
DBF4 Q9UBU7 1/20 0.42
PDPK1 O15530 1/20 0.41
ACHE P22303 1/20 0.41
BUB1 O43683 1/20 0.41
ADRA2A P08913 1/20 0.40
MKNK1 Q9BUB5 2/20 0.40
PLK4 O00444 1/20 0.40
MAPK13 O15264 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40
RPS6KA4 O75676 1/20 0.40
PRKD3 O94806 1/20 0.40
CHEK2 O96017 1/20 0.40
CDK1 P06493 1/20 0.40

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
SCHEMBL25452107 0.84 PARP10 (0.47) PARP10PARP11PARP1CDC7DBF4
SCHEMBL25452551 0.74 BUB1 (0.43) BUB1ADRA2APKN2
SCHEMBL7581652 0.72 PARP1 (0.56) PARP10PARP11PARP1ACHE
SCHEMBL25451943 0.71 KCNH2 (0.42) PDPK1ADRA2AMAPK13CDK1RPS6KB1
SCHEMBL7590531 0.70 PARP11 (0.56) PARP10PARP11PARP1CDC7PDPK1
SCHEMBL26970286 0.70 SYK (0.51) CDC7ROCK2PRKACACDK9JAK3
SCHEMBL25452044 0.69 ADRA2A (0.40) PDPK1ADRA2AMKNK1CDK1RPS6KB1
SCHEMBL830807 0.68 PARP1 (1.00) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL8118685 0.68 PARP1 (0.64) PARP10PARP11PARP1PDPK1ACHE
SCHEMBL6421827 0.68 PARP1 (0.64) PARP10PARP11PARP1PDPK1ACHE

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-2023081800-A1 ALPHA-2A ADRENERGIC RECEPTOR MODULATORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-05-11 WO disclosed