SCHEMBL9051507

SCHEMBL9051507

COC(=O)c1ccc(CCCc2cnc3nc(N)nc(O)c3c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4A11 Q02928 2/20 0.46
CYP4F2 P78329 1/20 0.45
TP53 P04637 2/20 0.41
CYP3A4 P08684 2/20 0.41
KCNH2 Q12809 1/20 0.41
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
CKS1B P61024 1/20 0.40
SKP2 Q13309 1/20 0.40
HIF1A Q16665 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL9050614 0.96 TP53 (0.44) CYP4A11CYP4F2TP53CYP3A4KCNH2
SCHEMBL9050867 0.88 RARB (0.41) SMN1; SMN2
SCHEMBL9052458 0.83 GART (0.44) TP53SMN1; SMN2DHFR
SCHEMBL9339199 0.77 DHFR (0.54) CYP4A11CYP4F2TP53CYP3A4TLR8
SCHEMBL9339245 0.75 CYP4A11 (0.55) CYP4A11CYP4F2TP53CYP3A4TLR8
SCHEMBL9341073 0.74 CYP4A11 (0.53) CYP4A11CYP4F2TP53CYP3A4TLR8
SCHEMBL9844981 0.73 EGFR (0.46) CYP4A11CYP4F2TP53CYP3A4TLR8
SCHEMBL9844803 0.72 TP53 (0.46) CYP4A11CYP4F2TP53CYP3A4TLR8
SCHEMBL9844832 0.72 TP53 (0.44) CYP4A11CYP4F2TP53CYP3A4KCNH2
SCHEMBL9844887 0.72 CYP3A4 (0.44) CYP4A11CYP4F2TP53CYP3A4KCNH2

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-0314280-B1 Process for the preparation of fused pyridine compounds UNIV PRINCETON (US) 1996-02-21 EP disclosed
US-4895946-A Process for the preparation of fused pyridine compounds THE TRUSTEES OF PRINCETON UNIVERSITY (US) 1990-01-23 US disclosed