SCHEMBL6207631

SCHEMBL6207631

COc1ccc(CNc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)cc1.FC(F)(F)CCCNc1n[nH]c2cc(Cl)c(-c3ccccc3)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.49
CDC7 O00311 1/20 0.47
GSK3B P49841 5/20 0.46
CDK1 P06493 1/20 0.46
CDK2 P24941 1/20 0.46
PRKAB2 O43741 2/20 0.46
PRKAG1 P54619 2/20 0.46
PRKAA2 P54646 2/20 0.46
PRKAA1 Q13131 2/20 0.46
PRKAG3 Q9UGI9 2/20 0.46
PRKAG2 Q9UGJ0 2/20 0.46
PRKAB1 Q9Y478 2/20 0.46
MAPK10 P53779 2/20 0.43
FGFR1 P11362 1/20 0.41
MAPK8 P45983 1/20 0.41
USP1 O94782 1/20 0.40
WDR48 Q8TAF3 1/20 0.40
LMNA P02545 1/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 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
Water SCHEMBL1461210 0.98 CDC7 (0.48) MAP2K4CDC7GSK3BCDK1CDK2
SCHEMBL4498891 0.89 MAP2K4 (0.57) MAP2K4CDC7GSK3BCDK1CDK2
SCHEMBL4497411 0.88 GSK3B (0.53) CDC7GSK3BCDK1CDK2PRKAB2
SCHEMBL1378107 0.85 GSK3B (0.49) MAP2K4CDC7GSK3BCDK1CDK2
SCHEMBL4495395 0.84 GSK3B (0.52) MAP2K4CDC7GSK3BCDK1CDK2
SCHEMBL4502817 0.82 MAPK8 (0.51) MAP2K4CDC7GSK3BCDK1CDK2
SCHEMBL4494733 0.82 GSK3B (0.55) GSK3BCDK1CDK2PRKAB2PRKAG1
SCHEMBL4492720 0.81 GSK3B (0.53) CDC7GSK3BCDK1CDK2PRKAB2
SCHEMBL4500596 0.79 GSK3B (0.53) MAP2K4GSK3BCDK1CDK2PRKAB2
SCHEMBL4492484 0.79 GSK3B (0.58) MAP2K4CDC7GSK3BCDK1CDK2

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-1537087-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2005-06-08 EP disclosed
WO-2004022544-A1 NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2004-03-18 WO disclosed