SCHEMBL7350502

SCHEMBL7350502

CC(C)(C)Nc1c(Nc2cccc3cnccc23)c(=O)c1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.52
PLK1 P53350 3/20 0.46
ROCK2 O75116 2/20 0.46
ROCK1 Q13464 2/20 0.46
SGK1 O00141 1/20 0.46
PLK4 O00444 1/20 0.46
CHEK1 O14757 1/20 0.46
MAPK13 O15264 1/20 0.46
PDPK1 O15530 1/20 0.46
JAK2 O60674 1/20 0.46
CHEK2 O96017 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
MET P08581 1/20 0.46
PIM1 P11309 1/20 0.46
FLT1 P17948 1/20 0.46
FGFR3 P22607 1/20 0.46
MARK3 P27448 1/20 0.46
MAPK1 P28482 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL7355127 0.86 CCR4 (0.48) CCR4ROCK2ROCK1MAPK1TRPV1
SCHEMBL2622218 0.82 CCR4 (0.55) CCR4ROCK2ROCK1TRPV1LMNA
SCHEMBL7352314 0.81 LMNA (0.49) CCR4ROCK2ROCK1MAPK1PRKCD
SCHEMBL7347625 0.77 GAA (0.54) CCR4ROCK2ROCK1TRPV1LMNA
SCHEMBL8369853 0.73 PRKCZ (0.43) PLK1ROCK2ROCK1PLK4CHEK2
SCHEMBL7349452 0.73 PLK1 (0.55) PLK1ROCK2ROCK1SGK1PLK4
SCHEMBL25175478 0.71 ADRA2A (0.70) CCR4ROCK2ROCK1TRPV1LMNA
SCHEMBL1735616 0.71 ROCK2 (0.55) CCR4ROCK2ROCK1PRKCDLMNA
SCHEMBL2938319 0.70 HTT (0.50) CCR4ROCK2ROCK1TRPV1LMNA
SCHEMBL8101447 0.70 TRPV1 (0.59) MAPK1TRPV1LMNAALDH1A1MAPT

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729457-B1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PROD (US) 1998-12-23 EP claimed
EP-0729457-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-04 EP claimed
WO-1995014005-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-26 WO claimed
US-5397790-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-14 US claimed
EP-0796243-B1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PROD (US) 1999-01-27 EP disclosed
EP-0729457-B1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PROD (US) 1998-12-23 EP disclosed
EP-0796243-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-24 EP disclosed
EP-0729457-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-04 EP disclosed
US-5536741-A SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-16 US disclosed
US-5536731-A SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-07-16 US disclosed
US-5530025-A SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-25 US disclosed
WO-1996015103-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-23 WO disclosed
US-5506252-A MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-09 US disclosed
US-5464867-A SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-11-07 US disclosed
WO-1995014005-A1 DIAMINOCYCLOBUTENE-3,4-DIONES AS SMOOTH MUSCLE RELAXANTS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-05-26 WO disclosed
US-5403854-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-04-04 US disclosed
US-5403853-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-04-04 US disclosed
US-5401753-A Smooth muscle relaxants for urogenital disorders AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-28 US disclosed
US-5397790-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-14 US disclosed
US-5354763-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1994-10-11 US disclosed