SCHEMBL6300545

SCHEMBL6300545

NCc1cccc(CNC2=NCCN2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 11/20 0.53
PTGIR P43119 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.43
NLRP3 Q96P20 1/20 0.43
PIM1 P11309 1/20 0.43
CXCR4 P61073 3/20 0.42
LMNA P02545 2/20 0.42
GAA P10253 1/20 0.42
APOBEC3A P31941 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 1/20 0.41
SLC22A1 O15245 1/20 0.41
SLC22A3 O75751 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL17188814 0.85 WDR5 (0.56) WDR5PTGIRSMN1; SMN2NLRP3CXCR4
SCHEMBL6666027 0.82 WDR5 (0.65) WDR5PTGIRLMNAMEN1SLC22A1
SCHEMBL13063072 0.82 WDR5 (0.55) WDR5PTGIRNISCH
SCHEMBL3169468 0.81 PTGIR (0.60) WDR5PTGIRSMN1; SMN2NLRP3CXCR4
SCHEMBL6306650 0.81 WDR5 (0.64) WDR5
SCHEMBL6664237 0.79 HTR1B (0.61) WDR5PTGIRGAAADRA2AADRA2B
SCHEMBL10054979 0.79 PTGIR (0.69) WDR5PTGIRSMN1; SMN2NLRP3CXCR4
SCHEMBL13063330 0.77 CYP2D6 (0.58) WDR5PTGIRSMN1; SMN2NLRP3LMNA
SCHEMBL4035161 0.75 PTGIR (0.61) WDR5PTGIRCXCR4LMNAGAA
SCHEMBL8152769 0.75 WDR5 (0.69) WDR5PTGIRCYP2D6HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1216866-C bicyclic vitronectin receptor antagonist compounds, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2005-08-31 CN disclosed
US-6846833-B2 Vitronectin receptor antagonist bicyclic compounds, preparation method and compositions containing same LES LABORATORIES SERVIER (FR) 2005-01-25 US disclosed
EP-1268429-B1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME SERVIER LAB (FR) 2004-08-18 EP disclosed
CN-1411444-A Vitronectin receptor antagonist bicyclic compounds, preparation method and compositions containing same SEUWIEL LAB (FR) 2003-04-16 CN disclosed
EP-1268429-A1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME Les Laboratoires Servier (FR) 2003-01-02 EP disclosed
WO-2001079172-A1 VITRONECTIN RECEPTOR ANTAGONIST BICYCLIC COMPOUNDS, PREPARATION METHOD AND COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER Departament Brevets/Fontanes (FR) 2001-10-25 WO disclosed