SCHEMBL10512955

SCHEMBL10512955

CCc1[nH]c(=O)c(C#N)cc1-c1ccc2nc(C)cn2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 5/20 0.58
PDE3B Q13370 4/20 0.58
PDE4A P27815 2/20 0.53
HPGD P15428 3/20 0.53
BLM P54132 2/20 0.53
CYP3A4 P08684 2/20 0.53
NFKB1 P19838 1/20 0.53
PMP22 Q01453 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KDM4E B2RXH2 4/20 0.41
PDE5A O76074 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40

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 0.86 PDE3A (0.70) PDE3APDE3BPDE4AHPGDBLM
SCHEMBL10512080 0.83 PDE3A (0.74) PDE3APDE3BPDE4AHPGDBLM
SCHEMBL10515903 0.80 PDE3A (0.65) PDE3APDE3BPDE4AHPGDBLM
SCHEMBL10514829 0.77 PDE3A (0.62) PDE3APDE3BPDE4AHPGDBLM
SCHEMBL10571909 0.76 PDE3A (0.67) PDE3APDE3BPDE4AHPGDBLM
SCHEMBL11223772 0.75 PDE3A (0.73) PDE3APDE3BPDE4AHPGDBLM
SCHEMBL10998629 0.74 PDE3A (1.00) PDE3APDE3BPDE4AHPGDBLM
SCHEMBL10888479 0.74 PDE3A (0.71) PDE3APDE3BPDE4AHPGDBLM
SCHEMBL10513405 0.74 PDE3A (0.61) PDE3APDE3BPDE4AHPGDBLM
SCHEMBL10513250 0.73 PDE3A (0.64) PDE3APDE3BPDE4AHPGDBLM

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 8 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 claimed
EP-0199127-A1 5-(6-imidazo[1,2-a]pyridyl) pyridine derivative Eisai Co., Ltd. (JP) 1986-10-29 EP claimed
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