SCHEMBL10512080

SCHEMBL10512080

CCc1[nH]c(=O)c(C#N)cc1-c1ccc2nccn2c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3A Q14432 6/20 0.74
PDE4A P27815 2/20 0.74
HPGD P15428 3/20 0.73
BLM P54132 2/20 0.73
CYP3A4 P08684 1/20 0.73
NFKB1 P19838 1/20 0.73
PMP22 Q01453 1/20 0.73
HSD17B10 Q99714 1/20 0.73
PDE3B Q13370 5/20 0.61
PDE2A O00408 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
KDM4E B2RXH2 2/20 0.41
PDE5A O76074 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
CYP2C19 P33261 1/20 0.41
PDE4B Q07343 1/20 0.41

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
Olprinone SCHEMBL19205852 0.85 PDE3A (1.00) PDE3APDE4AHPGDBLMCYP3A4
Olprinone SCHEMBL27661 0.85 PDE3A (1.00) PDE3APDE4AHPGDBLMCYP3A4
Olprinone SCHEMBL27901698 0.84 PDE3A (0.98) PDE3APDE4AHPGDBLMCYP3A4
Olprinone SCHEMBL6052374 0.84 HPGD (1.00) PDE3APDE4AHPGDBLMCYP3A4
Olprinone SCHEMBL563912 0.84 HPGD (1.00) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL10512955 0.83 PDE3A (0.58) PDE3APDE4AHPGDBLMCYP3A4
Olprinone SCHEMBL931814 0.81 PDE3A (0.90) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL10998629 0.76 PDE3A (1.00) PDE3APDE4AHPGDBLMCYP3A4
Olprinone SCHEMBL28068934 0.75 PDE3A (0.77) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL11223772 0.75 PDE3A (0.73) PDE3APDE4AHPGDBLMCYP3A4

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 9 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
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 claimed
CN-1020608-C Preparation of 5-(6-imidazo [1,2-a] pyridyl) pyridine derivative EISAI CO LTD (JP) 1993-05-12 CN disclosed
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-4791202-A CARDIOTONIC AGENTS; CONGESTIVE HEART FAILURE EISAI CO., LTD. (JP) 1988-12-13 US disclosed
US-4791203-A CARDIOTONIC AGENTS 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