SCHEMBL4553698

SCHEMBL4553698

O=[C]c1c(O)c2cccnc2n(Cc2ccc(C(F)(F)F)nc2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 3/20 0.47
CNR2 P34972 6/20 0.44
CNR1 P21554 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
EGLN2 Q96KS0 2/20 0.40
EGLN3 Q9H6Z9 2/20 0.40
TP53 P04637 1/20 0.40
GRIN1 Q05586 1/20 0.39
GRIN2B Q13224 1/20 0.39
HSD17B13 Q7Z5P4 1/20 0.39
MAPT P10636 1/20 0.39
EP300 Q09472 1/20 0.38
CREBBP Q92793 1/20 0.38
KAT2A Q92830 1/20 0.38
KAT2B Q92831 1/20 0.38
TLR7 Q9NYK1 1/20 0.38

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
SCHEMBL4553700 0.84 EGLN1 (0.49) EGLN1CNR2CNR1PTGDR2EGLN2
SCHEMBL3518628 0.81 EGLN1 (0.44) EGLN1CNR2CNR1PTGDR2EGLN2
SCHEMBL3513806 0.80 EGLN1 (0.51) EGLN1CNR2CNR1PTGDR2EGLN2
SCHEMBL3518609 0.79 EGLN1 (0.52) EGLN1CNR2CNR1PTGDR2EGLN2
SCHEMBL3514759 0.79 EGLN1 (0.75) EGLN1CNR2CNR1EGLN2EGLN3
SCHEMBL3514775 0.77 EGLN1 (0.56) EGLN1CNR2CNR1PTGDR2EGLN2
SCHEMBL27793219 0.77 EGLN1 (0.56) EGLN1CNR2CNR1PTGDR2EGLN2
SCHEMBL3512344 0.76 TP53 (0.41) EGLN1CNR2CNR1PTGDR2EGLN2
SCHEMBL13437408 0.76 EGLN1 (0.61) EGLN1CNR2CNR1EGLN2EGLN3
SCHEMBL1941561 0.72 PTGDR2 (0.76) PTGDR2

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-2136810-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS Merck & Co., Inc. (US) 2009-12-30 EP disclosed
WO-2008130527-A1 NOVEL 1,8-NAPHTHYRIDINE COMPOUNDS MERCK & CO., INC. (US) 2008-10-30 WO disclosed