SCHEMBL7414532

SCHEMBL7414532

CC(=O)Cc1ccc(-n2cnc3ccccc32)cc1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 5/20 0.59
HTT P42858 3/20 0.57
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50
RIPK1 Q13546 1/20 0.47
RIPK3 Q9Y572 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL1408464 0.87 HTT (0.63) FGFR1HTT
SCHEMBL1408316 0.85 FGFR1 (0.66) FGFR1HTTRIPK1RIPK3RAB9A
SCHEMBL7383547 0.81 FGFR1 (0.72) FGFR1HTTPDE4APDE4BPDE4C
SCHEMBL13889341 0.80 HTT (0.66) FGFR1HTTKDM4EALDH1A1RAB9A
SCHEMBL12970574 0.80 FGFR1 (0.68) FGFR1HTTKDM4EALDH1A1RAB9A
SCHEMBL30402227 0.79 HTT (0.88) FGFR1HTTKDM4EALDH1A1RAB9A
SCHEMBL3419279 0.79 HTT (0.88) FGFR1HTTKDM4EALDH1A1RAB9A
Bicarbonate SCHEMBL2334509 0.78 HTT (0.85) FGFR1HTT
SCHEMBL28004670 0.77 HTT (0.66) FGFR1HTTKDM4EALDH1A1RAB9A
SCHEMBL23514707 0.77 HTT (0.60) FGFR1HTTKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0102227-B1 2(1H)-PYRIDINONES, USEFUL AS CARDIOTONIC AGENTS, AND THEIR PRODUCTION WARNER-LAMBERT COMPANY (US) 1989-05-03 EP disclosed
US-4607037-A Cardiotonic 2(1H)-pyridinones WARNER-LAMBERT COMPANY (US) 1986-08-19 US disclosed
US-4503061-A Substituted phenyl-pyridinones as cardiotonic agents WARNER-LAMBERT COMPANY (US) 1985-03-05 US disclosed
EP-0102227-A2 2(1H)-pyridinones, useful as cardiotonic agents, and their production WARNER-LAMBERT COMPANY (US) 1984-03-07 EP disclosed