SCHEMBL7338490

SCHEMBL7338490

Nc1cc2c([nH]c1=O)CCc1cnccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.44
INCENP Q9NQS7 3/20 0.44
PDE3B Q13370 3/20 0.44
PDE3A Q14432 3/20 0.44
CDC7 O00311 3/20 0.39
AURKA O14965 2/20 0.35
TTK P33981 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL7340801 0.92 AURKB (0.43) AURKBINCENPPDE3BPDE3ACDC7
SCHEMBL7337644 0.87 AURKB (0.46) AURKBINCENPPDE3BPDE3ACDC7
SCHEMBL7338656 0.81 CYP11B2 (0.36) CDC7KDM4EALDH1A1CYP1A2HPGD
SCHEMBL7346402 0.80 KDM4E (0.48) PDE3BPDE3ACDC7PDE4APDE4B
SCHEMBL7402936 0.80 CDC7 (0.36) CDC7KDM4EMAPTCYP3A4CASP1
SCHEMBL7338264 0.79 TYMS (0.46) AURKBINCENPPDE3BPDE3APDE4A
SCHEMBL7403980 0.77 KDM4C (0.39) CDC7MEN1KMT2ACASP1ROCK2
SCHEMBL7403456 0.76 AAK1 (0.46) CDC7ROCK2
SCHEMBL7347975 0.75 TYMS (0.51) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7337834 0.75 PKN2 (0.41) CDC7KDM4EALDH1A1MAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511569-A Tricyclic lactams and derivatives useful in increasing cardiac contractility SCHERING CORPORATION (US) 1985-04-16 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed