SCHEMBL6579855

SCHEMBL6579855

O=C(O)c1cccnc1-c1ccccc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
NAPRT Q6XQN6 2/20 0.56
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
BLM P54132 1/20 0.49
AGER Q15109 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACMSD Q8TDX5 1/20 0.46
DHODH Q02127 9/20 0.46
ALB P02768 1/20 0.44
MYC P01106 1/20 0.44

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
SCHEMBL9265839 0.86 KDM4E (0.74) KDM4ETDP1NAPRTNPC1RAB9A
SCHEMBL4782635 0.85 MAPT (0.55) KDM4ETDP1NAPRTNPC1RAB9A
SCHEMBL2346128 0.83 KDM4E (0.59) KDM4ETDP1NAPRTALDH1A1CYP3A4
SCHEMBL2555756 0.80 KDM4E (0.65) KDM4ETDP1NAPRTALDH1A1CYP3A4
SCHEMBL6206542 0.80 KDM4E (0.65) KDM4ETDP1NAPRTRAB9AALDH1A1
SCHEMBL29574354 0.80 KDM4E (0.65) KDM4ETDP1NAPRTRAB9AALDH1A1
SCHEMBL3820615 0.80 KDM4E (0.65) KDM4ETDP1NAPRTNPC1RAB9A
SCHEMBL29950470 0.80 KDM4E (0.65) KDM4ETDP1NAPRTNPC1RAB9A
SCHEMBL16547426 0.80 KDM4E (0.65) KDM4ETDP1NAPRTNPC1RAB9A
SCHEMBL10000544 0.80 KDM4E (0.65) KDM4ETDP1NAPRTNPC1RAB9A

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-1140083-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2004-01-02 EP disclosed
US-6469018-B1 INHIBITING CYTOKINES AND THE TREATMENT OF A CYTOKINE MEDIATED DISEASE, BY ADMINISTRATION OF COMPOUNDS SUCH AS:2-(4-FLUOROPHENYL)-3-(2-METHYLTHIOPYRIMIDIN-4-YL)PYRIDINE SMITHKLINE BEECHAM CORPORATION 2002-10-22 US disclosed
EP-1140083-A1 NOVEL COMPOUNDS SmithKline Beecham Corporation (US) 2001-10-10 EP disclosed
WO-2000040243-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-13 WO disclosed