SCHEMBL8244430

SCHEMBL8244430

CC(C)(C)Nc1cncc(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 2/20 0.37
RAF1 P04049 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KCNH2 Q12809 1/20 0.33
XDH P47989 1/20 0.33
MALT1 Q9UDY8 2/20 0.32
IDH1 O75874 1/20 0.32
ALPL P05186 2/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
CHRNA4 P43681 2/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32

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
SCHEMBL14007397 0.79 ALDH1A1 (0.44) SCN10ARAF1CYP11B1CYP11B2KCNH2
SCHEMBL8750751 0.78 CHEK1 (0.42) SCN10ARAF1CYP11B1CYP11B2KCNH2
SCHEMBL22205240 0.75 PDK1 (0.48) SCN10AKCNH2MALT1
SCHEMBL21605071 0.75 KDM4E (0.47) SCN10ARAF1CYP11B1CYP11B2CHRNB2
SCHEMBL8750888 0.74 XDH (0.41) SCN10ARAF1CYP11B1CYP11B2KCNH2
Hydrochloric Acid SCHEMBL21598403 0.73 KDM4E (0.45) SCN10ARAF1CYP11B1CYP11B2CHRNB2
Hydrochloric Acid SCHEMBL30147906 0.73 KDM4E (0.45) SCN10ARAF1CYP11B1CYP11B2CHRNB2
SCHEMBL8750774 0.73 CHRNB2 (0.46) RAF1CYP11B1CYP11B2CHRNB2CHRNA4
SCHEMBL21571870 0.72 SLC22A12 (0.42) SCN10A
SCHEMBL936524 0.72 CYP11B1 (0.47) RAF1CYP11B1CYP11B2CHRNB2CHRNB4

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
WO-2007045861-A1 CINNOLINE COMPOUNDS AS INHIBITORS OF PHOSPHODIESTERASE TYPE IV (PDE4) GLAXO GROUP LIMITED (GB) 2007-04-26 WO disclosed