SCHEMBL5533853

SCHEMBL5533853

O=C(O)CNc1nc2nonc2nc1Nc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
TP53 P04637 4/20 0.42
MAPT P10636 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CDKN1A P38936 1/20 0.42
CTNNB1 P35222 3/20 0.41
CDC25B P30305 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
BLM P54132 1/20 0.40
POLB P06746 3/20 0.40
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 1/20 0.40
ATM Q13315 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3048964 0.83 SMN1; SMN2 (0.42) EPHX2TP53MAPTSMN1; SMN2CDKN1A
SCHEMBL3051391 0.78 POLB (0.55) TP53MAPTSMN1; SMN2CTNNB1MEN1
SCHEMBL3040678 0.78 EPHX2 (0.56) EPHX2TP53MAPTSMN1; SMN2CDC25B
SCHEMBL412396 0.75 PARP1 (0.58) MAPTALDH1A1MEN1KMT2APOLB
Hydrochloric Acid SCHEMBL4837088 0.75 PARP1 (0.58) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL29527726 0.75 PARP1 (0.58) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL10277353 0.74 CA12 (0.46) EPHX2TP53MAPTSMN1; SMN2CDKN1A
SCHEMBL13310280 0.72 FABP4 (0.50) MAPTCDC25BALDH1A1MEN1KMT2A
SCHEMBL3049443 0.71 MAPT (0.49) EPHX2TP53MAPTSMN1; SMN2CDKN1A
SCHEMBL5539670 0.71 MAPT (0.45) EPHX2TP53MAPTSMN1; SMN2CDKN1A

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 4 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 claimed
WO-2006044402-A1 FURAZANO `3, 4-B ! PYRAZYNES AND THEIR USE AS ANTI-TUMOR AGENTS COMPASS PHARMACEUTICALS LLC (US) 2006-04-27 WO claimed
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