SCHEMBL10513250

SCHEMBL10513250

Cc1[nH]c(=O)c(C#N)cc1-c1ccc2nc(-c3ccccc3)cn2c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 3/20 0.64
PDE4A P27815 2/20 0.64
ALDH1A1 P00352 7/20 0.62
KDM4E B2RXH2 6/20 0.62
HPGD P15428 5/20 0.62
BLM P54132 2/20 0.62
HSD17B10 Q99714 2/20 0.62
NFKB1 P19838 2/20 0.62
CYP3A4 P08684 1/20 0.62
PMP22 Q01453 1/20 0.62
GALR3 O60755 1/20 0.62
GAA P10253 1/20 0.62
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
ALDH1A3 P47895 9/20 0.53
SLC2A1 P11166 1/20 0.51
PDE3B Q13370 2/20 0.51
TSHR P16473 2/20 0.51
PDE5A O76074 1/20 0.51
LMNA P02545 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
SCHEMBL9460929 0.85 PDE3A (0.70) PDE3APDE4AALDH1A1KDM4EHPGD
SCHEMBL10571909 0.84 PDE3A (0.67) PDE3APDE4AALDH1A1KDM4EHPGD
SCHEMBL10515903 0.82 PDE3A (0.65) PDE3APDE4AALDH1A1KDM4EHPGD
SCHEMBL11021914 0.80 PDE3A (0.56) PDE3APDE4AALDH1A1KDM4EHPGD
SCHEMBL10514829 0.80 PDE3A (0.62) PDE3APDE4AALDH1A1KDM4EHPGD
SCHEMBL10513405 0.79 PDE3A (0.61) PDE3APDE4AALDH1A1KDM4EHPGD
SCHEMBL5460125 0.79 KDM4E (1.00) PDE3APDE4AALDH1A1KDM4EHPGD
Olprinone SCHEMBL27661 0.78 PDE3A (1.00) PDE3APDE4AALDH1A1KDM4EHPGD
Olprinone SCHEMBL19205852 0.78 PDE3A (1.00) PDE3APDE4AALDH1A1KDM4EHPGD
Olprinone SCHEMBL563912 0.77 HPGD (1.00) PDE3APDE4AALDH1A1KDM4EHPGD

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
EP-0199127-B1 5-(6-imidazo[1,2-a]pyridyl) pyridine derivative Eisai Co., Ltd. (JP) 1989-12-13 EP disclosed
US-4803276-A CARDIOTONIC AGENTS, VASODILATION EISAI CO., LTD. (JP) 1989-02-07 US disclosed
US-4791203-A CARDIOTONIC AGENTS EISAI CO., LTD. (JP) 1988-12-13 US disclosed
US-4791202-A CARDIOTONIC AGENTS; CONGESTIVE HEART FAILURE EISAI CO., LTD. (JP) 1988-12-13 US disclosed
US-4751227-A 3-cyano-5-(6-imidazo[1,2-a]pyridyl)pyridin-2-ols useful as cardiotonics EISAI CO., LTD. (JP) 1988-06-14 US disclosed
EP-0199127-A1 5-(6-imidazo[1,2-a]pyridyl) pyridine derivative Eisai Co., Ltd. (JP) 1986-10-29 EP disclosed