SCHEMBL12830783

SCHEMBL12830783

O=C(Nc1ccccc1N1CCCCC1)c1cnc(-n2ncc3ccccc32)o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HTT P42858 2/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ TP53 P04637 1/20 0.54
▸ ATM Q13315 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ CSF1R P07333 7/20 0.53
▸ GAA P10253 3/20 0.51
▸ MAPK10 P53779 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ PIM1 P11309 5/20 0.50
▸ PIM3 Q86V86 3/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ PIM2 Q9P1W9 1/20 0.50
▸ LMNA P02545 1/20 0.48
▸ HPGD P15428 1/20 0.48

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
SCHEMBL11924094 0.88 PIM2 (0.48) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL11924095 0.88 PIM2 (0.48) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL12831082 0.85 CSF1R (0.62) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL11924096 0.82 CHEK1 (0.65) CHEK1PIM1PIM3PIM2
SCHEMBL11924098 0.79 PIM2 (0.58) PIM1PIM3PIM2
SCHEMBL11924097 0.79 PIM2 (0.58) PIM1PIM3PIM2
SCHEMBL16519597 0.77 CHEK1 (0.82) MAPTNPSR1CHEK1PIM1PIM3
SCHEMBL11923886 0.73 ALDH1A1 (0.48) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL11923885 0.73 ALDH1A1 (0.48) ALDH1A1MAPTHTTKDM4ENPC1
SCHEMBL11924173 0.73 PIM2 (0.46) ALDH1A1MAPTHTTKDM4ENPC1

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-2011025706-A2 HETEROCYCLIC AMIDE COMPOUNDS AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2011-03-03 — — WO disclosed
Send feedback