SCHEMBL23655147

SCHEMBL23655147

CC1(C)c2cc(C#N)ccc2-c2ccc(-c3ccc(-c4c(/C(N)=N/C(=N)c5ccccc5)ccc5ccccc45)cc3)cc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.34
SLC22A12 Q96S37 2/20 0.34
F10 P00742 1/20 0.33
F11 P03951 1/20 0.33
F7 P08709 1/20 0.33
ALK Q9UM73 3/20 0.33
PGR P06401 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
XDH P47989 1/20 0.31

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
SCHEMBL20405316 0.93 PDK2 (0.34) PDK2SLC22A12F10F11F7
SCHEMBL20407141 0.89 PDK2 (0.33) PDK2
SCHEMBL20405295 0.86 PDK2 (0.39) PDK2SLC22A12F10F11F7
SCHEMBL24914154 0.85 GRIN2B (0.33) PDK2SLC22A12ALK
SCHEMBL20407090 0.84 SLC22A12 (0.40) SLC22A12XDH
SCHEMBL20407111 0.79 PDK2 (0.40) PDK2SLC22A12ALKPGRCA1
SCHEMBL20405505 0.78 PDK2 (0.32) PDK2
SCHEMBL20407045 0.77 ESR1 (0.36)
SCHEMBL21159685 0.77 PGR (0.39) PDK2SLC22A12ALKPGRCA1
SCHEMBL20405292 0.77 PGR (0.39) PDK2SLC22A12ALKPGRCA1

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
EP-3351536-B1 ORGANIC LIGHT-EMITTING DEVICE LG CHEMICAL LTD (KR) 2021-07-21 EP disclosed