SCHEMBL13961609

SCHEMBL13961609

COBN1CCN(c2ccncc2NC(=O)c2ccnc(-c3ccccc3SC)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.46
GSK3A P49840 3/20 0.46
ATR Q13535 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
DYRK1A Q13627 1/20 0.40
CHEK1 O14757 4/20 0.40
PIM1 P11309 6/20 0.39
PIM3 Q86V86 5/20 0.39
PIM2 Q9P1W9 7/20 0.39
PRKCA P17252 2/20 0.38
PRKCQ Q04759 2/20 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
SCHEMBL13027876 0.86 CHEK1 (0.53) GSK3BGSK3AATRCHEK1PIM1
SCHEMBL13961491 0.85 GSK3A (0.45) GSK3BGSK3AATRALDH1A1DYRK1A
SCHEMBL13961607 0.85 GSK3B (0.46) GSK3BGSK3AATRMAPTCHEK1
SCHEMBL13028305 0.85 GSK3B (0.47) GSK3BGSK3AATRALDH1A1MAPT
SCHEMBL13068213 0.85 BACE1 (0.47) GSK3BGSK3AALDH1A1MAPTALOX15
SCHEMBL13961465 0.84 GSK3A (0.48) GSK3BGSK3AATRALDH1A1MAPT
SCHEMBL13961711 0.83 CHEK1 (0.47) GSK3BGSK3AATRCHEK1PIM1
SCHEMBL13961608 0.83 CHEK1 (0.42) GSK3BGSK3AATRCHEK1PIM1
SCHEMBL13961449 0.83 GSK3B (0.42) GSK3BGSK3AATRDYRK1ACHEK1
SCHEMBL13961717 0.83 GSK3B (0.44) GSK3BGSK3AATRMAPTCHEK1

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