SCHEMBL10512816

SCHEMBL10512816

Cc1c(-c2c[nH]c(=O)c(C#N)c2)ccc2nccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PDE3A Q14432 5/20 0.48
PDE4A P27815 2/20 0.48
HPGD P15428 4/20 0.47
BLM P54132 2/20 0.47
CYP3A4 P08684 1/20 0.47
NFKB1 P19838 1/20 0.47
PMP22 Q01453 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MCL1 Q07820 9/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
PDE3B Q13370 4/20 0.38
PDE5A O76074 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL10513117 0.80 PDE3A (0.64) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL10515680 0.77 PDE3A (0.54) PIK3CDPIK3CAPIK3CBPDE3APDE4A
SCHEMBL10513772 0.75 PDE4A (0.63) PIK3CDPIK3CAPIK3CBPDE3APDE4A
SCHEMBL11458186 0.73 MCL1 (0.56) PIK3CDPIK3CAPIK3CBPDE3APDE4A
SCHEMBL12618988 0.72 PDE4A (0.39) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL10514169 0.71 PDE3A (0.61) PDE3APDE4AHPGDBLMCYP3A4
Hydrochloric Acid SCHEMBL1795034 0.71 CYP3A4 (0.40) PDE3APDE4AHPGDBLMCYP3A4
SCHEMBL11001549 0.68 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPDE3APDE4A
SCHEMBL11002430 0.68 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPDE3APDE4A
SCHEMBL11559317 0.68 PIK3CD (0.56) PIK3CDPIK3CAPIK3CBPDE3APDE4A

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