SCHEMBL6182960

SCHEMBL6182960

Cc1cccc(C(=O)c2sc(Nc3ccc(OCCC4CCCN4)cc3)nc2N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 1/20 0.56
CDK5 Q00535 8/20 0.51
CDK5R1 Q15078 8/20 0.51
CCNA2 P20248 5/20 0.50
CDK2 P24941 5/20 0.50
TUBB8B A6NNZ2 1/20 0.48
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBB4B P68371 1/20 0.48
TUBB3 Q13509 1/20 0.48
TUBB2A Q13885 1/20 0.48
TUBB8 Q3ZCM7 1/20 0.48
TUBB6 Q9BUF5 1/20 0.48
TUBB2B Q9BVA1 1/20 0.48
TUBB1 Q9H4B7 1/20 0.48
SPHK2 Q9NRA0 1/20 0.48
SPHK1 Q9NYA1 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL6180694 0.91 ZAP70 (0.68) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6182886 0.91 ZAP70 (0.57) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6182690 0.91 CDK5 (0.59) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6182202 0.90 ZAP70 (0.53) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6182758 0.89 CCNA2 (0.58) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6182759 0.87 ZAP70 (0.56) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6184526 0.87 CDK5 (0.58) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6182399 0.86 ZAP70 (0.53) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6181505 0.85 ZAP70 (0.50) ZAP70CDK5CDK5R1CCNA2CDK2
SCHEMBL6181087 0.85 ZAP70 (0.50) 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