SCHEMBL5750187

SCHEMBL5750187

O=CCc1cccc(-c2ccnc(Cl)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 5/20 0.43
PLK1 P53350 1/20 0.38
DYRK1A Q13627 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DYRK1B Q9Y463 1/20 0.38
KARS1 Q15046 2/20 0.36
CLK1 P49759 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCD Q05655 1/20 0.36
MAPT P10636 1/20 0.36
CAMK2D Q13557 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL19766402 0.87 KMO (0.39) KMOPLK1DYRK1ACLK4DYRK1B
SCHEMBL977647 0.82 PRKCI (0.50) KMOKDM1AHDAC1HDAC6
SCHEMBL1108271 0.82 IDO1 (0.48) KMOPLK1DYRK1ACLK4DYRK1B
SCHEMBL1467440 0.79 DYRK1A (0.44) KMOPLK1DYRK1ACLK4DYRK1B
SCHEMBL1466773 0.79 CDK8 (0.46) KMOPLK1DYRK1ADYRK1BABL1
SCHEMBL29607278 0.79 CDK8 (0.46) KMOPLK1DYRK1ADYRK1BABL1
SCHEMBL15087879 0.78 DYRK1A (0.44) KMOPLK1DYRK1ACLK4DYRK1B
SCHEMBL3023148 0.78 MMP3 (0.47) KMOPLK1DYRK1ACLK4DYRK1B
SCHEMBL1468365 0.78 SLC2A4 (0.50) PLK1DYRK1ACLK4DYRK1BCLK1
SCHEMBL1467441 0.77 KARS1 (0.46) KMOPLK1DYRK1ACLK4DYRK1B

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-1701944-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-09-20 EP disclosed
WO-2005066139-A2 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-07-21 WO disclosed