SCHEMBL2477578

SCHEMBL2477578

CN(CCc1nc(-c2ccc(I)cc2)c[nH]1)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
GBA1 P04062 1/20 0.35
PAX8 Q06710 1/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1B Q00975 1/20 0.34
CACNA1C Q13936 1/20 0.34
AAK1 Q2M2I8 1/20 0.33
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
BUB1 O43683 1/20 0.31
PDK2 Q15119 1/20 0.31
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30

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
SCHEMBL20469229 0.77 CACNA1G (0.41) PAX8CACNA1GCACNA1BCACNA1CAAK1
SCHEMBL1929153 0.77 HTR2C (0.42) GBA1PAX8CACNA1GCACNA1BCACNA1C
SCHEMBL2477577 0.74 AAK1 (0.36) PAX8AAK1
SCHEMBL9980531 0.74 AAK1 (0.36) PAX8AAK1
SCHEMBL20456732 0.72 CACNA1G (0.38) PAX8CACNA1GCACNA1BCACNA1CHTR2C
SCHEMBL6812673 0.71 CACNA1G (0.42) PAX8CACNA1GCACNA1BCACNA1CHTR2C
SCHEMBL21334068 0.70 AAK1 (0.31) PAX8AAK1
SCHEMBL29602667 0.70 GBA1 (0.42) GBA1PAX8CACNA1GCACNA1BCACNA1C
SCHEMBL18731533 0.70 SSTR4 (0.39) PAX8
SCHEMBL21334151 0.70 AAK1 (0.30) AAK1

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-2373167-A1 INHIBITORS OF HCV NS5A Presidio Pharmaceuticals, Inc. (US) 2011-10-12 EP disclosed
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 WO disclosed