SCHEMBL5772306

SCHEMBL5772306

Clc1nccc(-c2cccc([AsH2])c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.44
PLK1 P53350 1/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CAMK2D Q13557 2/20 0.39
AURKA O14965 1/20 0.37
HSP90AA1 P07900 1/20 0.37
PRKACA P17612 1/20 0.37
ADORA2A P29274 1/20 0.37
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
PRKCA P17252 1/20 0.37
PRKCD Q05655 1/20 0.37
MAPT P10636 1/20 0.36
DYRK1A Q13627 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36

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
SCHEMBL31119010 0.82 KMO (0.62) KMOPLK1SMN1; SMN2CAMK2DABL1
SCHEMBL443718 0.82 KMO (0.62) KMOPLK1SMN1; SMN2CAMK2DABL1
SCHEMBL25178278 0.81 MEN1 (0.50) KMOPLK1MEN1KMT2AALDH1A1
SCHEMBL2349505 0.81 KMO (0.60) KMOPLK1MEN1KMT2AALDH1A1
SCHEMBL1466904 0.79 CAMK2D (0.58) KMOPLK1MEN1KMT2AALDH1A1
SCHEMBL2350651 0.79 KMO (0.59) KMOPLK1MEN1KMT2AALDH1A1
SCHEMBL823885 0.79 HSD17B1 (0.55) KMOPLK1HSD17B1HSD17B2CYP19A1
SCHEMBL10042675 0.79 MEN1 (0.48) KMOPLK1MEN1KMT2AALDH1A1
SCHEMBL30039418 0.79 KMO (0.59) KMOPLK1MEN1KMT2AALDH1A1
SCHEMBL3754295 0.79 ALDH1A1 (0.46) KMOPLK1MEN1KMT2AALDH1A1

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