SCHEMBL1633675

SCHEMBL1633675

O=S(=O)(Nc1cc(Br)cc2[nH]ccc12)c1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.63
FBP1 P09467 1/20 0.48
SLC40A1 Q9NP59 6/20 0.45
GLO1 Q04760 1/20 0.45
MAP2K7 O14733 2/20 0.43
MAP2K4 P45985 2/20 0.43
CKS1B P61024 3/20 0.43
SKP2 Q13309 3/20 0.43
BRAF P15056 1/20 0.43
BRD4 O60885 1/20 0.43
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
KMT2A Q03164 2/20 0.41
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL1633740 0.85 HTR6 (0.76) HTR6FBP1SLC40A1
SCHEMBL1635145 0.78 HTR6 (0.77) HTR6FBP1KMT2AKEAP1NFE2L2
SCHEMBL1633816 0.78 HTR6 (0.77) HTR6FBP1
SCHEMBL1635040 0.78 HTR6 (1.00) HTR6FBP1KMT2A
SCHEMBL1635033 0.75 HTR6 (0.72) HTR6KEAP1NFE2L2
SCHEMBL1634443 0.74 HTR6 (0.63) HTR6FBP1JAK2JAK1TYK2
SCHEMBL25140692 0.71 ACLY (0.52) SLC40A1GLO1
SCHEMBL30806174 0.71 ACLY (0.52) SLC40A1GLO1
SCHEMBL789565 0.71 PIK3CA (0.57) SLC40A1GLO1BRAFKEAP1NFE2L2
SCHEMBL1207409 0.70 SLC40A1 (0.62) SLC40A1GLO1CKS1BSKP2BRAF

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-2247595-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2011-07-20 EP disclosed
US-7932254-B2 Pyrrolopyrazine kinase inhibitors Roche Palo Alto (US) 2011-04-26 US disclosed