Sugi Predict

Sugi Predict / Compounds / SCHEMBL5200237

SCHEMBL5200237

SCHEMBL5200237

C[C@@H](NC(=O)Oc1cnc(-c2ccc3[nH]nc(N)c3c2)[nH]1)c1cccc(O)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 13/20 0.42
▸ ROCK2 O75116 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ DYRK1A Q13627 4/20 0.38
▸ MAPK3 P27361 2/20 0.37
▸ JAK2 O60674 1/20 0.37

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
SCHEMBL4894826 0.85 MAPK1 (0.44) MAPK1ROCK2ROCK1DYRK1AMAPK3
SCHEMBL5185743 0.76 JAK2 (0.48) ROCK2ROCK1DYRK1AJAK2
SCHEMBL4888782 0.76 ROCK1 (0.57) MAPK1ROCK2ROCK1
SCHEMBL12907347 0.74 MAPK1 (0.58) MAPK1ROCK2ROCK1MAPK3JAK2
SCHEMBL12907361 0.71 TDP1 (0.46) MAPK1ROCK2ROCK1MAPK3JAK2
SCHEMBL12907362 0.71 TDP1 (0.46) MAPK1ROCK2ROCK1MAPK3JAK2
SCHEMBL4895989 0.70 SRC (0.49) MAPK1ROCK2ROCK1DYRK1AMAPK3
SCHEMBL10213901 0.66 JAK2 (0.71) ROCK2ROCK1DYRK1AJAK2
SCHEMBL4889237 0.66 PIN1 (0.52) ROCK2ROCK1DYRK1AJAK2
SCHEMBL1228354 0.66 MAPKAPK2 (0.60) MAPK1ROCK2ROCK1JAK2

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-1802583-A1 HETEROCYCLIC CARBONYL COMPOUNDS Merck Patent GmbH (DE) 2007-07-04 — — EP disclosed
WO-2006045350-A1 HETEROCYCLIC CARBONYL COMPOUNDS MERCK PATENT GMBH (DE) 2006-05-04 — — WO disclosed