SCHEMBL6532777

SCHEMBL6532777

O=S(=O)(Nc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12)c1ccc(C(F)(F)F)cc1.O=S(=O)(Nc1n[nH]c2c(F)c(Cl)c(-c3ccccc3)cc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.52
CDK1 P06493 1/20 0.52
CDK2 P24941 1/20 0.52
EDNRB P24530 2/20 0.43
EDNRA P25101 2/20 0.43
MAP2K4 P45985 2/20 0.42
ACLY P53396 2/20 0.41
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
PTPN5 P54829 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HSD11B1 P28845 1/20 0.39
CKS1B P61024 1/20 0.39
SKP2 Q13309 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39
KDM1A O60341 1/20 0.38
BRAF P15056 1/20 0.38
USP36 Q9P275 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL2334200 0.99 GSK3B (0.53) GSK3BCDK1CDK2EDNRBEDNRA
SCHEMBL1377458 0.92 GSK3B (0.60) GSK3BCDK1CDK2MAP2K4ACLY
SCHEMBL1379009 0.90 GSK3B (0.55) GSK3BCDK1CDK2EDNRA
SCHEMBL1379072 0.89 GSK3B (0.57) GSK3BCDK1CDK2MAP2K4PTPN2
SCHEMBL1374941 0.87 GSK3B (0.57) GSK3BCDK1CDK2MAP2K4ACLY
SCHEMBL1374927 0.85 GSK3B (0.41) GSK3BCDK1CDK2EDNRBEDNRA
SCHEMBL1378226 0.85 GSK3B (0.55) GSK3BCDK1CDK2MAP2K4PTPN2
SCHEMBL6528658 0.84 GSK3B (0.54) GSK3BCDK1CDK2MAP2K4ACLY
SCHEMBL6529436 0.82 GSK3B (0.52) GSK3BCDK1CDK2MAP2K4MEN1
SCHEMBL1379098 0.82 GSK3B (0.59) GSK3BCDK1CDK2MEN1KMT2A

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-1572200-A1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS Aventis Pharma S.A. (FR) 2005-09-14 EP disclosed
WO-2004062662-A1 AMINOINDAZOLE DERIVATIVES AND USE THEREOF AS KINASE INHIBITORS AVENTIS PHARMA S.A. (FR) 2004-07-29 WO disclosed