SCHEMBL7723752

SCHEMBL7723752

NC(=O)c1c(-c2cncnc2)ccc2c1[nH]c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.47
PIM1 P11309 1/20 0.47
DYRK1A Q13627 1/20 0.42
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
BTK Q06187 1/20 0.41
TDO2 P48775 1/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40

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
SCHEMBL148467 0.89 TDO2 (0.54) PIM3PIM1PKN1PKN2BTK
SCHEMBL147833 0.77 PIM3 (0.50) PIM3PIM1BTKKIF11KDM4E
SCHEMBL148354 0.75 PIM1 (0.45) PIM3PIM1DYRK1ABTKTDO2
SCHEMBL148605 0.74 PIM1 (0.44) PIM3PIM1DYRK1ABTKKDM4E
SCHEMBL28165763 0.74 PIM3 (0.55) PIM3PIM1GABRPGABRDGABRA1
SCHEMBL149085 0.73 BCHE (0.46) PIM3PIM1DYRK1AGABRA1GABRG2
SCHEMBL8910145 0.72 PIM3 (0.57) PIM3PIM1DYRK1AGABRPGABRD
Carbamic Acid SCHEMBL3414543 0.72 PKN1 (0.44) DYRK1APKN1PKN2GABRPGABRD
SCHEMBL28856729 0.70 PIM1 (0.51) PIM3PIM1KIF11KDM4EALDH1A1
SCHEMBL28481860 0.70 KIF11 (0.56) PIM3PIM1GABRPGABRDGABRA1

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
US-6399631-B1 3-AMIDO OR 3-SULFONAMIDO; EATING DISORDERS IN HUMANS, DOGS AND CATS PFIZER INC. 2002-06-04 US disclosed