SCHEMBL5245642

SCHEMBL5245642

CC(C)(C)OC(=O)[AsH]c1cc(Sc2ccc3c(C(=O)O)cccc3c2)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.38
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTT P42858 1/20 0.34
NR4A1 P22736 1/20 0.34
NR4A2 P43354 1/20 0.34
NR4A3 Q92570 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TBXAS1 P24557 1/20 0.32
CDC25B P30305 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KDR P35968 2/20 0.31
AURKA O14965 1/20 0.31

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
SCHEMBL2433083 0.80 PTPN1 (0.38) PTPN1MEN1KMT2ANR4A1NR4A2
SCHEMBL2435108 0.76 PTPN1 (0.49) PTPN1ALDH1A1MEN1KMT2AHTT
SCHEMBL2435235 0.75 PTPN1 (0.48) PTPN1ALDH1A1MEN1KMT2AHTT
SCHEMBL2439081 0.67 PTPN1 (0.47) PTPN1ALDH1A1MEN1KMT2AHTT
SCHEMBL2433575 0.67 PTPN1 (0.47) PTPN1ALDH1A1MEN1KMT2AHTT
SCHEMBL3668537 0.67 KDR (0.48) PTPN1KDRAURKAMETTEK
SCHEMBL344157 0.63 PTPN1 (0.66) PTPN1ALDH1A1MEN1KMT2ANR4A1
SCHEMBL31522164 0.63 PTPN1 (0.66) PTPN1ALDH1A1MEN1KMT2ANR4A1
SCHEMBL6916641 0.61 PTPN1 (0.64) PTPN1ALDH1A1MEN1KMT2ANR4A1
SCHEMBL6917255 0.61 PTPN1 (0.64) PTPN1ALDH1A1MEN1KMT2ANR4A1

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-1794149-A2 BICYCLIC AMIDES AS KINASE INHIBITORS Novartis AG (CH) 2007-06-13 EP disclosed
WO-2006059234-A2 BICYCLIC AMIDES AS KINASE INHIBITORS NOVARTIS AG (CH) 2006-06-08 WO disclosed