SCHEMBL13961448

SCHEMBL13961448

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.50
PIM2 Q9P1W9 3/20 0.50
PRKCA P17252 1/20 0.50
PRKCQ Q04759 1/20 0.50
GSK3A P49840 6/20 0.47
CHEK1 O14757 6/20 0.45
JAK2 O60674 1/20 0.42
ROCK2 O75116 1/20 0.42
IGF1R P08069 1/20 0.42
MAPK1 P28482 1/20 0.42
AKT1 P31749 1/20 0.42
RPS6KA3 P51812 1/20 0.42
NEK2 P51955 1/20 0.42
STK3 Q13188 1/20 0.42
CAMK4 Q16566 1/20 0.42
TSSK2 Q96PF2 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
ATR Q13535 1/20 0.41
DYRK1A Q13627 1/20 0.41
PIM3 Q86V86 2/20 0.41

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
SCHEMBL13961453 0.92 CHEK1 (0.56) GSK3BPIM2PRKCAPRKCQGSK3A
SCHEMBL13961713 0.90 PIM2 (0.48) GSK3BPIM2PRKCAPRKCQGSK3A
SCHEMBL13961709 0.90 GSK3B (0.46) GSK3BPIM2PRKCAPRKCQGSK3A
SCHEMBL13961607 0.90 GSK3B (0.46) GSK3BPIM2PRKCAPRKCQGSK3A
SCHEMBL13961465 0.89 GSK3A (0.48) GSK3BPIM2PRKCAPRKCQGSK3A
SCHEMBL13961466 0.88 PIM2 (0.47) GSK3BPIM2GSK3AMAPK1IRAK4
SCHEMBL13961456 0.87 GSK3B (0.47) GSK3BPIM2PRKCAPRKCQGSK3A
SCHEMBL13027822 0.87 CHEK1 (0.57) GSK3BPIM2PRKCAPRKCQGSK3A
SCHEMBL13961486 0.86 GSK3A (0.46) GSK3BPIM2GSK3ACHEK1ATR
SCHEMBL13028266 0.86 GSK3B (0.50) GSK3BPIM2PRKCAPRKCQGSK3A

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