SCHEMBL7550176

SCHEMBL7550176

O=c1[nH]nc(O)c2nc3ccc(Br)cc3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.38
PIM1 P11309 1/20 0.38
AKT1 P31749 1/20 0.38
FLT3 P36888 1/20 0.38
PIM3 Q86V86 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TYMS P04818 3/20 0.36
BACE1 P56817 1/20 0.35
PRMT5 O14744 1/20 0.34
WDR77 Q9BQA1 1/20 0.34
CASP3 P42574 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 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
SCHEMBL7549280 0.84 PDE3B (0.46) MAPTTYMSBACE1CASP3TUBB4A
SCHEMBL7550534 0.83 PDE3B (0.44) CHEK1MAPTNPSR1RXFP1TYMS
SCHEMBL7547477 0.81 KDM4E (0.44) CHEK1PIM3GAAMAPTNPSR1
SCHEMBL7549332 0.78 CSNK2A1 (0.33) PDE3BPDE3A
SCHEMBL7545063 0.78 CSNK2A1 (0.35)
SCHEMBL26732566 0.73 PRMT5 (0.46) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL7508327 0.70 PRMT5 (0.32) GAAMAPTNPSR1RXFP1PRMT5
SCHEMBL6920515 0.66 CSNK2A1 (0.38) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL29768297 0.64 BACE1 (0.58) MAPTBACE1ALDH1A1KDM4EMEN1
SCHEMBL4347785 0.64 BACE1 (0.58) MAPTBACE1ALDH1A1KDM4EMEN1

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-0931081-B1 PYRIDAZINO 4,5-B]-QUINOLINE 5-OXIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS GLYCINE ANTAGONISTS MERZ & CO GMBH & CO (DE) 2002-09-25 EP claimed