SCHEMBL4071607

SCHEMBL4071607

COc1nc(C)cc(C)c1C#N.Cc1cc(C)c(C#N)c(Cl)n1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.59
POLB P06746 3/20 0.58
TSHR P16473 3/20 0.58
MAPK1 P28482 1/20 0.58
CYP1A2 P05177 3/20 0.52
CYP2C19 P33261 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 2/20 0.50
CYP3A4 P08684 2/20 0.50
KDM4E B2RXH2 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 5/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP2C9 P11712 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL2673753 0.90 RECQL (0.71) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL318407 0.87 KDM4E (0.60) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL29420807 0.87 KDM4E (0.60) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL16212460 0.80 RECQL (0.53) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL4071963 0.80 RECQL (0.67) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL4067225 0.80 KDM4E (0.53) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL17164107 0.80 RECQL (0.70) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL15821360 0.77 KDM4E (0.46) RECQLPOLBTSHRMAPK1SMN1; SMN2
SCHEMBL4071901 0.77 RECQL (0.67) RECQLPOLBTSHRMAPK1CYP1A2
SCHEMBL4071993 0.77 RECQL (0.54) RECQLPOLBTSHRMAPK1CYP1A2

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