SCHEMBL627205

SCHEMBL627205

c1ccc(-c2ccc3nc(-n4cccn4)nc(NC4CCOCC4)c3c2)cc1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.69
ADORA2A P29274 3/20 0.46
IRAK4 Q9NWZ3 3/20 0.42
MAOB P27338 1/20 0.42
HTR6 P50406 1/20 0.42
DYRK1A Q13627 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL16626157 0.93 EGLN1 (0.66) EGLN1ADORA2AIRAK4MAPTMAPK1
SCHEMBL627243 0.85 EGLN1 (0.69) EGLN1ADORA2AMAOBHTR6
SCHEMBL623196 0.82 EGLN1 (1.00) EGLN1
SCHEMBL627572 0.81 CYP1A2 (0.58) EGLN1ADORA2AIRAK4MAPK1
SCHEMBL21802969 0.78 EGLN1 (0.64) EGLN1MAPTMAPK1HTTNPSR1
SCHEMBL16626233 0.77 EGLN1 (0.67) EGLN1ADORA2A
SCHEMBL627146 0.77 EGLN1 (0.67) EGLN1ADORA2A
SCHEMBL627593 0.77 EGLN1 (0.69) EGLN1ADORA2ADYRK1A
SCHEMBL16626264 0.77 EGLN1 (0.68) EGLN1MAPTHTT
SCHEMBL16626248 0.76 EGLN1 (0.66) EGLN1ADORA2AMAPTMAPK1HTT

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-2603502-A1 4 - AMINOQUINAZOLIN- 2 - YL - 1 - PYRRAZOLE - 4 - CARBOXYLIC ACID COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2013-06-19 EP disclosed
WO-2012021830-A1 4 - AMINOQUINAZOLIN- 2 - YL - 1 - PYRRAZOLE - 4 - CARBOXYLIC ACID COMPOUNDS AS PROLYL HYDROXYLASE INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2012-02-16 WO disclosed