SCHEMBL5532987

SCHEMBL5532987

CC(C)(CNC(=O)O)Nc1nc2nonc2nc1Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
TP53 P04637 5/20 0.46
CCR2 P41597 1/20 0.46
CCR5 P51681 1/20 0.46
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
HTT P42858 5/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 3/20 0.40
CDKN1A P38936 1/20 0.38
BRD4 O60885 1/20 0.37
LMNA P02545 3/20 0.37
DHODH Q02127 1/20 0.37
P2RX3 P56373 1/20 0.37
MAPK14 Q16539 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL3054066 0.88 MAPT (0.43) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3052132 0.82 MAPT (0.48) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3052187 0.81 HTT (0.57) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3051396 0.78 TP53 (0.55) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL5539670 0.77 MAPT (0.45) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL10276991 0.77 MAPT (0.45) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3051775 0.76 MAPT (0.46) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3055646 0.76 TP53 (0.58) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3060981 0.75 MAPT (0.44) MAPTSMN1; SMN2TP53CCR2CCR5
SCHEMBL3052199 0.75 MAPT (0.46) MAPTSMN1; SMN2TP53CCR2CCR5

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-1799689-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS Compass Pharmaceuticals LLC (US) 2007-06-27 EP disclosed
WO-2006044402-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO disclosed