SCHEMBL9535536

SCHEMBL9535536

O=C(O)CC1N=Cc2cccnc2N1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.33
TNKS2 Q9H2K2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.31
GSK3B P49841 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
EGFR P00533 1/20 0.31
EGLN2 Q96KS0 1/20 0.31
FTO Q9C0B1 1/20 0.31
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
AGER Q15109 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL7603455 0.77 EGFR (0.42) KDM4EMAPTALDH1A1HPGDHSD17B10
SCHEMBL4554798 0.68 TNKS2 (0.35) KDM4EMAPTTNKS2ALDH1A1NPC1
SCHEMBL31445919 0.68 TNKS2 (0.35) KDM4EMAPTTNKS2ALDH1A1NPC1
SCHEMBL13858832 0.67 GSK3B (0.36) TNKS2GSK3B
SCHEMBL21500733 0.66 NPC1 (0.43) KDM4EMAPTCYP1A2TNKS2NPC1
SCHEMBL25385846 0.64 KDM4E (0.36) KDM4EMAPTCYP1A2TNKS2ALDH1A1
SCHEMBL31691814 0.64 PARP1 (0.33) MAPTTNKS2NPC1GSK3BL3MBTL1
SCHEMBL25175695 0.64 PARP1 (0.33) MAPTTNKS2NPC1GSK3BL3MBTL1
SCHEMBL26124470 0.61 GSK3B (0.36) KDM4ETNKS2HSD17B10NPC1GSK3B
SCHEMBL27773502 0.59 GSK3B (0.34) TNKS2GSK3B

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-0568540-A1 2,4-DIOXO-PYRIDO 2,3-d]PYRIMIDINE-3-ACETIC ACIDS AND ESTERS AND SALTS THEREOF PFIZER INC. (US) 1993-11-10 EP disclosed
WO-1992012979-A1 2,4-DIOXO-PYRIDO [2,3-d]PYRIMIDINE-3-ACETIC ACIDS AND ESTERS AND SALTS THEREOF PFIZER INC. (US) 1992-08-06 WO disclosed