SCHEMBL4681966

SCHEMBL4681966

Cc1onc2c(=O)[nH]nc(-c3ccncc3)c12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
NSD3 Q9BZ95 1/20 0.37
ROCK1 Q13464 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PDE1A P54750 1/20 0.35
PDE1B Q01064 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE1C Q14123 1/20 0.35
PDE3A Q14432 1/20 0.35
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR4A2 P43354 1/20 0.34

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
SCHEMBL3037390 0.87 MAPT (0.40) MAPTALDH1A1GAAROCK1MAPK1
SCHEMBL994138 0.87 MAPT (0.49) MAPTALDH1A1GAAROCK1SMN1; SMN2
SCHEMBL1377025 0.84 MAPK1 (0.46) MAPTALDH1A1GAAROCK1MAPK1
SCHEMBL3033408 0.84 PTGS2 (0.42) MAPTALDH1A1GAAROCK1
SCHEMBL3036670 0.84 MAP2K4 (0.45) ALDH1A1
SCHEMBL1376313 0.82 GSK3A (0.50) MAPTALDH1A1PDE1APDE1BPDE3B
SCHEMBL4708510 0.82 ROCK1 (0.36) MAPTALDH1A1GAAROCK1
SCHEMBL3027304 0.82 KIT (0.38) MAPTALDH1A1GAA
SCHEMBL3028596 0.80 NOTUM (0.45) MAPTALDH1A1GAAROCK1SMN1; SMN2
SCHEMBL3022888 0.78 MAPK1 (0.57) MAPTALDH1A1ROCK1MAPK1SMN1; SMN2

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
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP disclosed