SCHEMBL10985180

SCHEMBL10985180

N#Cc1ccc(-c2ccncc2)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
PDE3B Q13370 3/20 0.55
PDE3A Q14432 3/20 0.55
HPGD P15428 2/20 0.55
PDE5A O76074 1/20 0.55
LMNA P02545 1/20 0.55
TSHR P16473 1/20 0.55
PTGS1 P23219 1/20 0.55
PDE4A P27815 1/20 0.55
CYP2C19 P33261 1/20 0.55
BLM P54132 1/20 0.55
PDE4B Q07343 1/20 0.55
PDE4C Q08493 1/20 0.55
PDE4D Q08499 1/20 0.55
PIK3CD O00329 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51
ALDH1A1 P00352 3/20 0.51
GLA P06280 1/20 0.51
GAA P10253 1/20 0.51

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
SCHEMBL4474609 0.82 MDM2 (0.62) KDM4EHPGDBLMALDH1A1GLA
SCHEMBL4471712 0.81 ALDH1A1 (0.53) KDM4EHPGDLMNACYP2C19ALDH1A1
SCHEMBL11008749 0.79 MCL1 (0.51) KDM4EHPGDLMNATSHRCYP2C19
SCHEMBL21051645 0.79 GCGR (0.44) KDM4EPDE3BPDE3AHPGDPDE5A
SCHEMBL7365683 0.79 KDM4E (0.51) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL9701575 0.79 MDM2 (0.59) KDM4EHPGDBLMALDH1A1GLA
SCHEMBL11737297 0.79 ERCC1 (0.57) KDM4EHPGDLMNAALDH1A1GLA
SCHEMBL7260450 0.76 KDM4E (0.70) KDM4EHPGDALDH1A1GLAGAA
SCHEMBL11736292 0.76 KDM4E (0.51) KDM4EPDE3BPDE3AHPGDPDE5A
SCHEMBL9524981 0.75 KDM4E (0.54) KDM4EPDE3BPDE3AHPGDPDE5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59025391-A None JP disclosed
US-4497816-A 7-(4-Pyridyl)-1,8-naphthyridine derivatives and their antibacterial compositions DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1985-02-05 US disclosed
JP-S5925391-A PYRIDYLNAPHTHYRIDINE DERIVATIVE AND SALT THEREOF DAINIPPON PHARMACEUT CO LTD 1984-02-09 JP disclosed
US-3948903-A Substituted N-(1,2-dihydro-2-oxonicotinyl)-cephalexins and -cephaloglycins PARKE, DAVIS & COMPANY (US) 1976-04-06 US disclosed