SCHEMBL5610909

SCHEMBL5610909

CCc1cnc(-c2cnc(N3CCC(C(=O)OC)CC3)c([AsH2])c2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
NEK2 P51955 1/20 0.41
LMNA P02545 2/20 0.39
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 4/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX12 P18054 1/20 0.37
MAPK1 P28482 2/20 0.37
ELANE P08246 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KCNMA1 Q12791 1/20 0.36
RAB9A P51151 2/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
MALT1 Q9UDY8 1/20 0.35

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
SCHEMBL4097357 0.89 KDM4E (0.42) KDM4ENEK2LMNAKMT2ASMN1; SMN2
SCHEMBL4110344 0.88 NEK2 (0.45) KDM4ENEK2LMNAKMT2ASMN1; SMN2
SCHEMBL4103864 0.87 KDM4E (0.40) KDM4ENEK2LMNAKMT2ASMN1; SMN2
SCHEMBL4098866 0.87 KDM4E (0.40) KDM4ENEK2LMNAKMT2ASMN1; SMN2
SCHEMBL4098179 0.86 NEK2 (0.39) KDM4ENEK2LMNAKMT2ASMN1; SMN2
SCHEMBL4104992 0.85 NEK2 (0.39) KDM4ENEK2LMNAKMT2ASMN1; SMN2
SCHEMBL4099757 0.85 MAPT (0.46) KDM4ENEK2LMNAMAPTMAPK1
SCHEMBL4114821 0.81 LMNA (0.41) KDM4ENEK2LMNAKMT2ASMN1; SMN2
SCHEMBL4099712 0.80 MPL (0.42) KDM4ENEK2LMNAKMT2ASMN1; SMN2
SCHEMBL5448530 0.79 KDM4E (0.41) KDM4ENEK2LMNAKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006073361-A9 NOVEL PYRIDINE COMPOUNDS ASTRAZENECA AB (SE) 2007-08-02 WO disclosed