SCHEMBL7347226

SCHEMBL7347226

CC(Nc1c(Nc2ccc(C#N)cc2)c(=O)c1=O)C(C)(C)C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 16/20 0.67
ABCC9 O60706 1/20 0.64
ABCC8 Q09428 1/20 0.64
KCNJ11 Q14654 1/20 0.64
KCNJ8 Q15842 1/20 0.64
CHEK1 O14757 3/20 0.63
PLK4 O00444 2/20 0.63
DAPK3 O43293 2/20 0.63
ROCK2 O75116 2/20 0.63
CHEK2 O96017 2/20 0.63
PIM1 P11309 2/20 0.63
GSK3A P49840 2/20 0.63
ROCK1 Q13464 2/20 0.63
CDC42BPA Q5VT25 2/20 0.63
PLK3 Q9H4B4 2/20 0.63
CDC7 O00311 1/20 0.63
GSK3B P49841 1/20 0.63
PRKX P51817 1/20 0.63
CSNK1G2 P78368 1/20 0.63
PRKCZ Q05513 1/20 0.63

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
SCHEMBL8372683 1.00 PLK1 (0.67) PLK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8373578 0.85 ABCC9 (0.47) PLK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8369787 0.84 PLK1 (0.64) PLK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8871512 0.81 MAPKAPK2 (0.65) PLK1ROCK2CHEK2GSK3AROCK1
SCHEMBL7894022 0.81 ABCC9 (0.58) PLK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL7886866 0.81 ABCC9 (0.58) PLK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL8870870 0.81 MAPKAPK2 (0.65) PLK1ROCK2CHEK2GSK3AROCK1
SCHEMBL7886860 0.81 ABCC9 (0.58) PLK1ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL9146091 0.81 MAPKAPK2 (0.65) PLK1ROCK2CHEK2GSK3AROCK1
SCHEMBL1927236 0.81 PLK1 (0.78) PLK1CHEK1PLK4DAPK3ROCK2

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-0796243-B1 DIAMINOCYCLOBUTENE-3,4-DIONES AMERICAN HOME PROD (US) 1999-01-27 EP claimed
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-5403853-A Smooth muscle relaxants AMERICAN HOME PRODUCTS CORPORATION (US) 1995-04-04 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
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