SCHEMBL8310210

SCHEMBL8310210

CCCCCNc1nc2c(Cl)cc(F)c(N)c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.36
ALPL P05186 2/20 0.36
ALPI P09923 2/20 0.36
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CDK9 P50750 1/20 0.36
LIMK1 P53667 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MMP3 P08254 1/20 0.35
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
STAT1 P42224 1/20 0.34
RAB9A P51151 1/20 0.34
RIPK1 Q13546 2/20 0.33
NR4A2 P43354 1/20 0.33

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
SCHEMBL8313967 0.76 MAPK14 (0.38) MAPTKMT2ATLR8MEN1KDM4E
SCHEMBL8329490 0.74 TLR8 (0.40) NPC1ALDH1A1RAB9ATLR8SMN1; SMN2
SCHEMBL8334566 0.72 TLR8 (0.36) NPC1MAPTALDH1A1RAB9AKMT2A
SCHEMBL9148367 0.72 SMN1; SMN2 (0.38) CLK2CDK9LIMK1CDK5DYRK1A
Hydrochloric Acid SCHEMBL9147162 0.70 SMN1; SMN2 (0.37) CLK2CDK9LIMK1CDK5DYRK1A
SCHEMBL8312415 0.70 SMN1; SMN2 (0.37) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL6533996 0.69 MMP3 (0.43) ALPLALPICLK2GSK3AGSK3B
SCHEMBL8310400 0.69 MAPT (0.36) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL9677765 0.67 NPC1 (0.53) CLK2GSK3AGSK3BCDK9LIMK1
SCHEMBL27834219 0.63 NPC1 (0.46) ALPLALPICLK2GSK3AGSK3B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958295-A1 SUBSTITUTED 2-(2,4(1H,3H)-PYRIMIDINDION-3-YL) BENZTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1999-11-24 EP disclosed
WO-1998033796-A1 SUBSTITUTED 2-(2,4(1H,3H)-PYRIMIDINDION-3-YL) BENZTHIAZOLES BASF AKTIENGESELLSCHAFT (DE) 1998-08-06 WO disclosed