SCHEMBL23628260

SCHEMBL23628260

CC1CC2CC(C)C3(c4ccccc4-c4ccc(Nc5ccccc5Cl)cc43)C(C1)C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.36
ACVRL1 P37023 1/20 0.34
MAPK8 P45983 1/20 0.32
MAPK10 P53779 1/20 0.32
NISCH Q9Y2I1 1/20 0.31
PDK2 Q15119 1/20 0.30
PGR P06401 1/20 0.30

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
SCHEMBL25457878 0.88 PDK2 (0.32) PDK2
SCHEMBL23628238 0.87 MAPK14 (0.41) MAPK14ACVRL1MAPK8MAPK10NISCH
SCHEMBL25457904 0.82
SCHEMBL23628259 0.82 MAPK14 (0.38) MAPK14ACVRL1MAPK8MAPK10PDK2
SCHEMBL25459233 0.82 PDK2 (0.43) PDK2PGR
SCHEMBL24728440 0.82 PDK2 (0.37) PDK2
SCHEMBL23605801 0.81 PDK2 (0.41) PDK2
SCHEMBL24622607 0.81 PDK2 (0.38) PDK2
SCHEMBL24728651 0.79 PDK2 (0.33) MAPK14PDK2
SCHEMBL24728930 0.78 PDK2 (0.37) PDK2

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-2021135456-A1 ORGANIC COMPOUND, ELECTRONIC COMPONENT AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed