SCHEMBL1581733

SCHEMBL1581733

NC1CCCN(c2c(Cl)cccc2/C=C2\SC(=O)NC2=O)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 17/20 1.00
PIM1 P11309 15/20 1.00
PIM3 Q86V86 14/20 1.00
STK17B O94768 2/20 0.74
BCL2 P10415 2/20 0.74
CSNK2A2 P19784 2/20 0.74
CDK7 P50613 2/20 0.74
DAPK1 P53355 2/20 0.74
CAMK4 Q16566 2/20 0.74
MAPK15 Q8TD08 2/20 0.74
PNPLA2 Q96AD5 2/20 0.74
HIPK3 Q9H422 2/20 0.74
KCNH2 Q12809 1/20 0.67
HPGD P15428 3/20 0.47

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
SCHEMBL1581737 1.00 PIM2 (1.00) PIM2PIM1PIM3STK17BBCL2
SCHEMBL1580740 1.00 PIM2 (1.00) PIM2PIM1PIM3STK17BBCL2
SCHEMBL1580738 1.00 PIM2 (1.00) PIM2PIM1PIM3STK17BBCL2
SCHEMBL1581735 1.00 PIM2 (1.00) PIM2PIM1PIM3STK17BBCL2
Hydrochloric Acid SCHEMBL2420971 0.99 PIM2 (0.98) PIM2PIM1PIM3STK17BBCL2
Hydrochloric Acid SCHEMBL16469349 0.99 PIM2 (0.98) PIM2PIM1PIM3STK17BBCL2
Hydrochloric Acid SCHEMBL2420968 0.99 PIM2 (0.98) PIM2PIM1PIM3STK17BBCL2
Hydrochloric Acid SCHEMBL2420975 0.99 PIM2 (0.98) PIM2PIM1PIM3STK17BBCL2
SCHEMBL2425796 0.94 PIM2 (1.00) PIM2PIM1PIM3STK17BBCL2
SCHEMBL1578656 0.94 PIM2 (1.00) PIM2PIM1PIM3STK17BBCL2

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
EP-2310010-A2 CHEMICAL COMPOUNDS 251 AstraZeneca AB (SE) 2011-04-20 EP disclosed