SCHEMBL6528308

SCHEMBL6528308

Fc1c(Cl)c(-c2ccccc2)cc2c(NCC3CC3)n[nH]c12.Fc1c(Cl)c(-c2ccccc2)cc2c(NCCCc3ccccc3)n[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.50
CDK1 P06493 1/20 0.50
CDK2 P24941 1/20 0.50
CDC7 O00311 2/20 0.41
ACHE P22303 1/20 0.41
PRKCQ Q04759 2/20 0.37
CRHR1 P34998 5/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R1 P27986 1/20 0.36
SOS1 Q07889 1/20 0.34
HTR2B P41595 1/20 0.34
TRIM58 Q8NG06 1/20 0.34
TYMP P19971 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
IGF1R P08069 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
SCHEMBL2338648 0.92 GSK3B (0.58) GSK3BCDK1CDK2CDC7PIK3CD
SCHEMBL1377267 0.91 GSK3B (0.59) GSK3BCDK1CDK2CDC7ACHE
SCHEMBL1376111 0.90 GSK3B (0.49) GSK3BCDK1CDK2CDC7ACHE
SCHEMBL1376173 0.86 GSK3B (0.57) GSK3BCDK1CDK2CDC7ACHE
SCHEMBL2334940 0.86 GSK3B (0.56) GSK3BCDK1CDK2CDC7ACHE
SCHEMBL2337764 0.85 GSK3B (0.60) GSK3BCDK1CDK2
SCHEMBL1379088 0.84 GSK3B (0.53) GSK3BCDK1CDK2CDC7PIK3CD
SCHEMBL6531233 0.84 GSK3B (0.57) GSK3BCDK1CDK2CDC7ACHE
SCHEMBL1375621 0.81 GSK3B (0.64) GSK3BCDK1CDK2CDC7
SCHEMBL2333642 0.80 GSK3B (0.67) GSK3BCDK1CDK2CDC7CYP1A2

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