SCHEMBL4565730

SCHEMBL4565730

O=c1[nH]ccc2ccncc12.O=c1c2cnccc2ccn1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHPS P49366 1/20 0.48
STING1 Q86WV6 1/20 0.46
KDM4C Q9H3R0 3/20 0.43
EIF4EBP1 Q13541 1/20 0.42
EGLN1 Q9GZT9 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HTT P42858 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HTR1A P08908 3/20 0.40
HTR2A P28223 3/20 0.40
DRD2 P14416 2/20 0.40
HTR6 P50406 1/20 0.39
PARP1 P09874 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL4249660 0.89 DHPS (0.57) DHPSSTING1KDM4CEGLN1LMNA
SCHEMBL1159186 0.76 PARP1 (0.53) KDM4CPARP1
SCHEMBL29809414 0.72 ACHE (0.59) DHPSEGLN1LMNAKDM4EHTT
SCHEMBL1757848 0.72 ACHE (0.59) DHPSEGLN1LMNAKDM4EHTT
SCHEMBL7828943 0.72 ALDH1A1 (0.59) EGLN1LMNAKDM4EALDH1A1HPGD
SCHEMBL5334485 0.70 DHPS (0.45) DHPSEGLN1LMNAKDM4EHTT
SCHEMBL6385918 0.70 MEN1 (0.46) DHPSEGLN1LMNAKDM4EHTT
SCHEMBL1774558 0.70 HTR6 (0.49) LMNAKDM4EHTTALDH1A1HPGD
SCHEMBL23425580 0.70 HTR2A (0.48) DHPSSTING1EIF4EBP1KDM4EHTR1A
SCHEMBL26703744 0.70 HTR6 (0.62) KDM4CKDM4EALDH1A1HTR6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706412-A4 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS CO LTD (KR) 2009-03-18 EP disclosed
EP-1706412-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK Chemicals, Co., Ltd. (KR) 2006-10-04 EP disclosed
WO-2005063768-A1 NOVEL PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND A PHARMACEUTICAL COMPOSITION CONTAINING THE SAME SK CHEMICALS, CO., LTD. (KR) 2005-07-14 WO disclosed