SCHEMBL6181183

SCHEMBL6181183

COc1cccc(C(=O)c2sc(Nc3ccc(OCCc4ncc[nH]4)cc3)nc2N)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.71
CDK5 Q00535 10/20 0.65
CDK5R1 Q15078 10/20 0.65
CCNA2 P20248 3/20 0.64
CDK2 P24941 3/20 0.64
MAPT P10636 2/20 0.57
CDK4 P11802 1/20 0.57
CCND1 P24385 1/20 0.57
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
NPC1 O15118 2/20 0.55
TUBB8B A6NNZ2 1/20 0.54
TUBB4A P04350 1/20 0.54
TUBB P07437 1/20 0.54
TUBB4B P68371 1/20 0.54
TUBB3 Q13509 1/20 0.54
TUBB2A Q13885 1/20 0.54
TUBB8 Q3ZCM7 1/20 0.54
TUBB6 Q9BUF5 1/20 0.54
TUBB2B Q9BVA1 1/20 0.54

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
SCHEMBL6180051 0.85 ZAP70 (0.78) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6180471 0.83 ZAP70 (0.78) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL4478062 0.83 CCNA2 (0.87) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6181776 0.82 ZAP70 (0.80) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6191764 0.80 ZAP70 (0.71) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6754438 0.80 ZAP70 (0.73) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL4473183 0.80 CCNA2 (0.88) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL1250778 0.79 CCNA2 (1.00) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL20142286 0.78 ZAP70 (0.72) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6183126 0.77 ZAP70 (0.75) ZAP70CDK5CDK5R1CCNA2CDK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 EP claimed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO claimed
EP-1507530-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2005-02-23 EP disclosed
WO-2003097048-A1 DIAMINOTHIAZOLES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO disclosed