SCHEMBL21781670

SCHEMBL21781670

O=CNc1cnc2c(c1N1CCCCC1)CCC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ACHE P22303 4/20 0.36
APP P05067 2/20 0.36
BCHE P06276 2/20 0.36
PIM2 Q9P1W9 2/20 0.34
HPGD P15428 1/20 0.33
ATM Q13315 1/20 0.31
IGF1R P08069 2/20 0.30
MAPT P10636 1/20 0.30
GABRA1 P14867 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
CDC42BPB Q9Y5S2 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL24831602 0.81 ACHE (0.41) ALDH1A1ACHEAPPBCHEPIM2
SCHEMBL15883615 0.78 ACHE (0.52) ALDH1A1ACHEAPPBCHEPIM2
SCHEMBL20368694 0.74 CCNT1 (0.42) ALDH1A1ACHEAPPBCHE
SCHEMBL21781486 0.73 ALDH1A1 (0.37) ALDH1A1ATMMAPTROCK2ROCK1
SCHEMBL21781356 0.73 KDM4E (0.30) SMN1; SMN2
SCHEMBL21781663 0.72 GRM5 (0.54) BCHE
SCHEMBL21781403 0.72 ACHE (0.40) ACHEAPPBCHEHPGDROCK2
SCHEMBL15571635 0.72 AR (0.43) ACHEAPPBCHEROCK2ROCK1
SCHEMBL21781478 0.71 ALDH1A1 (0.35) ALDH1A1PIM2
SCHEMBL22853622 0.69 ABL1 (0.38) ACHEAPPBCHEPIM2MAPT

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-2945939-B1 THIAZOLECARBOXAMIDES AND PYRIDINECARBOXAMIDE COMPOUNDS USEFUL AS PIM KINASE INHIBITORS INCYTE HOLDINGS CORP (US) 2020-03-04 EP disclosed