SCHEMBL13961713

SCHEMBL13961713

COBN1CCN(c2ccncc2NC(=O)c2ccnc(-c3ccc(OC)nc3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 6/20 0.48
PIM3 Q86V86 4/20 0.48
GSK3B P49841 5/20 0.46
GSK3A P49840 3/20 0.46
PRKCA P17252 1/20 0.42
PRKCQ Q04759 1/20 0.42
CHEK1 O14757 4/20 0.41
ATR Q13535 2/20 0.41
PIM1 P11309 2/20 0.40
MRGPRX1 Q96LB2 2/20 0.39
MAPT P10636 1/20 0.38
NTRK1 P04629 1/20 0.38
MAP4K1 Q92918 1/20 0.38

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) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13961465 0.89 GSK3A (0.48) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13027817 0.87 CHEK1 (0.51) PIM2PIM3GSK3BGSK3ACHEK1
SCHEMBL13961709 0.87 GSK3B (0.46) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13961607 0.87 GSK3B (0.46) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13028279 0.87 PIM2 (0.48) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13961456 0.86 GSK3B (0.47) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13068385 0.85 PIM2 (0.49) PIM2PIM3GSK3BGSK3APRKCA
SCHEMBL13961466 0.85 PIM2 (0.47) PIM2GSK3BGSK3AMAPT
SCHEMBL13961453 0.85 CHEK1 (0.56) PIM2PIM3GSK3BGSK3APRKCA

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