SCHEMBL10513772

SCHEMBL10513772

N#Cc1cc(-c2ccc3nccn3c2)c[nH]c1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.63
PDE3A Q14432 1/20 0.63
HPGD P15428 2/20 0.61
CYP3A4 P08684 1/20 0.61
NFKB1 P19838 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
HSD17B10 Q99714 1/20 0.61
PIK3CA P42336 2/20 0.56
PIK3CD O00329 1/20 0.56
PIK3CB P42338 1/20 0.56
MCL1 Q07820 5/20 0.53
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 1/20 0.51
DYRK1A Q13627 2/20 0.47
TGFBR1 P36897 1/20 0.43
AXL P30530 1/20 0.38
FLT3 P36888 1/20 0.38
MERTK Q12866 1/20 0.38
USP30 Q70CQ3 2/20 0.37

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
SCHEMBL10515680 0.80 PDE3A (0.54) PDE4APDE3AHPGDCYP3A4NFKB1
Olprinone SCHEMBL19205852 0.77 PDE3A (1.00) PDE4APDE3AHPGDCYP3A4NFKB1
Olprinone SCHEMBL27661 0.77 PDE3A (1.00) PDE4APDE3AHPGDCYP3A4NFKB1
Olprinone SCHEMBL563912 0.76 HPGD (1.00) PDE4APDE3AHPGDCYP3A4NFKB1
Olprinone SCHEMBL6052374 0.76 HPGD (1.00) PDE4APDE3AHPGDCYP3A4NFKB1
Olprinone SCHEMBL27901698 0.76 PDE3A (0.98) PDE4APDE3AHPGDCYP3A4NFKB1
SCHEMBL27273901 0.76 DYRK1A (0.57) PDE4APDE3AHPGDCYP3A4NFKB1
SCHEMBL10513551 0.75 CYP3A4 (0.61) PDE4APDE3AHPGDCYP3A4NFKB1
SCHEMBL10512816 0.75 PIK3CD (0.49) PDE4APDE3AHPGDCYP3A4NFKB1
SCHEMBL10512080 0.75 PDE3A (0.74) PDE4APDE3AHPGDCYP3A4NFKB1

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-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