SCHEMBL8624137

SCHEMBL8624137

CC(Nc1c(C(N)c2ccc(C#N)c(Cl)c2)c(=O)c1=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41
KCNJ11 Q14654 1/20 0.41
KCNJ8 Q15842 1/20 0.41
PLK1 P53350 5/20 0.37
CHEK1 O14757 2/20 0.36
CDC7 O00311 1/20 0.36
PLK4 O00444 1/20 0.36
DAPK3 O43293 1/20 0.36
ROCK2 O75116 1/20 0.36
CHEK2 O96017 1/20 0.36
PIM1 P11309 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
PRKX P51817 1/20 0.36
CSNK1G2 P78368 1/20 0.36
PRKCZ Q05513 1/20 0.36
ROCK1 Q13464 1/20 0.36
PKN2 Q16513 1/20 0.36
CDC42BPA Q5VT25 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
SCHEMBL8624266 0.81 AR (0.33) ABCC9ABCC8KCNJ11KCNJ8AR
SCHEMBL8667527 0.81 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8370803 0.78 PLK1 (0.54) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8370799 0.78 PLK1 (0.54) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8619019 0.77 ABCC9 (0.51) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL7894993 0.76 ABCC9 (0.47) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8372678 0.71 PLK1 (0.59) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL8369788 0.71 PLK1 (0.59) ABCC9ABCC8KCNJ11KCNJ8PLK1
SCHEMBL16649672 0.70 TRPV4 (0.48) ARS1PR3TRPV4S1PR4S1PR1
SCHEMBL8624915 0.69 ABCC9 (0.42) ABCC9ABCC8KCNJ11KCNJ8NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780505-A ADMINISTERING AS SMOOTH MUSCLE RELAXANT AMERICAN HOME PRODUCTS CORPORATION (US) 1998-07-14 US claimed