SCHEMBL4978178

SCHEMBL4978178

NC(=O)c1ccc(Cc2ccccn2)nc1N

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.44
PARP10 Q53GL7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ASIC3 Q9UHC3 1/20 0.43
IKBKB O14920 1/20 0.42
RPS6KB1 P23443 2/20 0.41
AURKA O14965 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PARP1 P09874 2/20 0.40
PTPRA P18433 1/20 0.39
PLAU P00749 2/20 0.38
LMNA P02545 1/20 0.38
HRH1 P35367 1/20 0.38
JAK3 P52333 1/20 0.38

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
SCHEMBL1792578 0.80 PARP10 (0.49) ADRA1DPARP10L3MBTL1RPS6KB1AURKA
SCHEMBL29818128 0.75 PARP10 (0.48) ADRA1DPARP10L3MBTL1RPS6KB1AURKA
SCHEMBL166483 0.75 PARP10 (0.48) ADRA1DPARP10L3MBTL1RPS6KB1AURKA
SCHEMBL29394547 0.75 AURKA (0.50) ADRA1DPARP10L3MBTL1RPS6KB1AURKA
SCHEMBL3644075 0.75 AURKA (0.50) ADRA1DPARP10L3MBTL1RPS6KB1AURKA
SCHEMBL31659786 0.74 ADRA1D (0.47) ADRA1DPARP10L3MBTL1RPS6KB1AURKA
SCHEMBL6378764 0.74 ADRA1D (0.47) ADRA1DPARP10L3MBTL1RPS6KB1AURKA
SCHEMBL6093499 0.73 AURKA (0.46) ADRA1DPARP10L3MBTL1RPS6KB1AURKA
SCHEMBL14917467 0.73 PARP1 (0.57) IKBKBPARP1
SCHEMBL28310422 0.72 PARP10 (0.52) ADRA1DPARP10L3MBTL1RPS6KB1AURKA

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-1971604-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES Amgen Inc. (US) 2008-09-24 EP disclosed
WO-2007048070-A2 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF CANCER DISEASES AMGEN INC. (US) 2007-04-26 WO disclosed