SCHEMBL5820264

SCHEMBL5820264

OC1CCC(Nc2ncc3nnn(-c4ccc(F)cc4)c3n2)CC1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 3/20 0.80
▸ GSK3B P49841 3/20 0.80
▸ MAPK6 Q16659 10/20 0.60
▸ MAPK8 P45983 6/20 0.52
▸ MAPK9 P45984 6/20 0.52
▸ MAPK10 P53779 6/20 0.52
▸ MAPK14 Q16539 5/20 0.52
▸ CYP2C9 P11712 1/20 0.48
▸ CCNE1 P24864 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ GAK O14976 1/20 0.46
▸ ERN1 O75460 1/20 0.46
▸ EGFR P00533 1/20 0.46
▸ MAPK3 P27361 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ MAPKAPK2 P49137 1/20 0.46
▸ LIMK1 P53667 1/20 0.46
▸ LIMK2 P53671 1/20 0.46
▸ MYLK Q15746 1/20 0.46
▸ SIK3 Q9Y2K2 1/20 0.46

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
SCHEMBL5819986 0.90 GSK3A (0.81) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16012467 0.89 MAPK6 (0.76) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16012466 0.89 MAPK6 (0.76) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL5820487 0.89 GSK3A (1.00) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL5820508 0.88 GSK3A (0.75) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16012652 0.86 MAPK6 (0.81) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16012808 0.86 MAPK6 (0.81) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL5818337 0.86 MAPK6 (0.81) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL5820170 0.86 GSK3A (0.75) GSK3AGSK3BMAPK6MAPK8MAPK9
SCHEMBL16012307 0.83 GSK3A (0.70) GSK3AGSK3BMAPK6MAPK8MAPK9

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-2006091737-A1 MODULATORS OF GSK-3 ACTIVITY KEMIA, INC. (US) 2006-08-31 — — WO disclosed
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