SCHEMBL1747314

SCHEMBL1747314

Nc1nn(-c2ccccc2)c2ncccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
EGFR P00533 2/20 0.47
ALDH1A1 P00352 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
PI4KA P42356 1/20 0.47
KMT2A Q03164 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
ELANE P08246 1/20 0.46
CCNA2 P20248 2/20 0.45
CDK2 P24941 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
SRC P12931 1/20 0.44
LDHA P00338 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL30499569 0.79 APP (0.54) ALDH1A1MEN1KMT2AELANESRC
SCHEMBL20413677 0.79 L3MBTL1 (0.56) KDM4EALDH1A1TSHRCYP2C19MEN1
SCHEMBL3158083 0.79 KDM4E (0.47) KDM4EALDH1A1TSHRCYP2C19ELANE
SCHEMBL9983699 0.77 ALDH1A1 (0.60) KDM4EEGFRALDH1A1TSHRCYP2C19
SCHEMBL14006038 0.76 ALDH1A1 (0.51) KDM4EALDH1A1TSHRCYP2C19CCNA2
SCHEMBL9876637 0.75 PTGER1 (0.50) KDM4EEGFRALDH1A1TSHRCYP2C19
SCHEMBL29224069 0.74 ELANE (0.50) KDM4EALDH1A1MEN1KMT2AHSD17B10
SCHEMBL1747623 0.74 GSK3B (0.54) EGFRALDH1A1MEN1PI4KAKMT2A
SCHEMBL10831975 0.74 MAPT (0.47) KDM4EEGFRALDH1A1TSHRCYP2C19
SCHEMBL4753475 0.73 EGFR (0.49) KDM4EEGFRALDH1A1TSHRCYP2C19

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-2380890-A1 New 7,8-dihydro-1,6-naphthyridin-5(6h)-one-derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-10-26 EP disclosed
EP-2380890-A1 New 7,8-dihydro-1,6-naphthyridin-5(6h)-one-derivatives as PDE4 inhibitors Almirall, S.A. (ES) 2011-10-26 EP disclosed
US-20110253549-A1 WASHING APPARATUS AND METHOD OF DEODORIZING WASHING WATER KANNO MINORU 2011-10-20 US disclosed