SCHEMBL11166310

SCHEMBL11166310

O=c1[nH]c2cc(-c3ccncc3)cnc2n1CCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 4/20 0.47
PDE3A Q14432 4/20 0.47
CDC7 O00311 1/20 0.44
PKN1 Q16512 1/20 0.44
PKN2 Q16513 1/20 0.44
PDE4B Q07343 1/20 0.41
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
PABPC1 P11940 1/20 0.40
KMT2A Q03164 1/20 0.40
GRIN1 Q05586 7/20 0.38
GRIN2B Q13224 7/20 0.38
HPGD P15428 2/20 0.36
ALDH1A1 P00352 1/20 0.36
METAP2 P50579 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36

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
Hydrochloric Acid SCHEMBL11353285 0.97 PDE3B (0.45) PDE3BPDE3ACDC7PKN1PKN2
Hydrochloric Acid SCHEMBL11237795 0.97 PDE3B (0.45) PDE3BPDE3ACDC7PKN1PKN2
SCHEMBL11154216 0.93 ALDH1A1 (0.46) PDE3BPDE3ACDC7PKN1PKN2
SCHEMBL11159832 0.91 PDE3B (0.44) PDE3BPDE3ACDC7PKN1PKN2
SCHEMBL11157645 0.84 PDE3B (0.49) PDE3BPDE3ACDC7PKN1PKN2
SCHEMBL11233977 0.84 ALDH1A1 (0.45) PDE3BPDE3APDE4BMEN1LMNA
SCHEMBL11157976 0.84 ALDH1A1 (0.50) PDE3BPDE3APDE4BMEN1LMNA
SCHEMBL11158984 0.84 PDE3B (0.44) PDE3BPDE3ACDC7PDE4BMEN1
SCHEMBL11243737 0.83 PDE3B (0.43) PDE3BPDE3APDE4BMEN1LMNA
SCHEMBL11158720 0.82 LMNA (0.59) PDE3BPDE3APDE4BMEN1LMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4294837-A 1,3-Dihydro-6-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones and -imidazo[4,5-b]pyridine-2-thiones and their cardiotonic use STERLING DRUG INC. (US) 1981-10-13 US claimed
US-4374141-A 2-Substituted amino-5-(pyridinyl)-nicotinamides and their cardiotonic use STERLING DRUG INC. (US) 1983-02-15 US disclosed
US-4309537-A Production of imidazo[4,5-b]pyridin-2-ones or thiones STERLING DRUG INC. (US) 1982-01-05 US disclosed
US-4297360-A 5-(Pyridinyl)pyridine-2,3-diamines, preparation thereof and their cardiotonic use STERLING DRUG INC. (US) 1981-10-27 US disclosed
US-4294837-A 1,3-Dihydro-6-(pyridinyl)-2H-imidazo[4,5-b]pyridin-2-ones and -imidazo[4,5-b]pyridine-2-thiones and their cardiotonic use STERLING DRUG INC. (US) 1981-10-13 US disclosed