SCHEMBL13961607

SCHEMBL13961607

COBN1CCN(c2ccncc2NC(=O)c2ccnc(-c3ccc(SC)cc3)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.46
GSK3A P49840 3/20 0.46
CHEK1 O14757 5/20 0.41
ATR Q13535 3/20 0.41
PIM3 Q86V86 3/20 0.40
PIM1 P11309 2/20 0.40
PIM2 Q9P1W9 4/20 0.40
PRKCA P17252 1/20 0.40
PRKCQ Q04759 1/20 0.40
MAPT P10636 3/20 0.38
CCR5 P51681 1/20 0.37

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
SCHEMBL13961448 0.90 GSK3B (0.50) GSK3BGSK3ACHEK1ATRPIM3
SCHEMBL13961709 0.88 GSK3B (0.46) GSK3BGSK3ACHEK1ATRPIM3
SCHEMBL13961465 0.87 GSK3A (0.48) GSK3BGSK3ACHEK1ATRPIM3
SCHEMBL13961466 0.87 PIM2 (0.47) GSK3BGSK3APIM2MAPT
SCHEMBL13961453 0.87 CHEK1 (0.56) GSK3BGSK3ACHEK1ATRPIM3
SCHEMBL13961713 0.87 PIM2 (0.48) GSK3BGSK3ACHEK1ATRPIM3
SCHEMBL13961456 0.86 GSK3B (0.47) GSK3BGSK3ACHEK1ATRPIM3
SCHEMBL13961468 0.85 CHEK1 (0.57) GSK3BGSK3ACHEK1ATRPIM3
SCHEMBL13027847 0.85 CHEK1 (0.53) GSK3BGSK3ACHEK1ATRPIM3
SCHEMBL13961609 0.85 GSK3B (0.46) GSK3BGSK3ACHEK1ATRPIM3

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-2009014637-A2 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2009-01-29 WO disclosed