SCHEMBL5485671

SCHEMBL5485671

COc1cccc(C(=O)c2sc(Nc3ccc([N+]4(C5CCNCC5)CCCCC4)cc3)nc2N)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.61
CDK2 P24941 3/20 0.61
CDK5 Q00535 10/20 0.61
CDK5R1 Q15078 10/20 0.61
ZAP70 P43403 1/20 0.61
MAPT P10636 2/20 0.55
CDK4 P11802 1/20 0.54
CCND1 P24385 1/20 0.54
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
HTT P42858 1/20 0.53
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
NPC1 O15118 2/20 0.52
TUBB8B A6NNZ2 1/20 0.52
TUBB4A P04350 1/20 0.52

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
SCHEMBL5483515 0.90 CCNA2 (0.56) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL5495558 0.89 CCNA2 (0.50) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL5484956 0.85 GSK3A (0.57) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL5482718 0.85 CDK5 (0.51) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL5481581 0.85 TUBB8B (0.53) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL5491314 0.84 NPC1 (0.51) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL5482785 0.83 CDK4 (0.56) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL5478195 0.83 CDK4 (0.50) CCNA2CDK2CDK5CDK5R1MAPT
SCHEMBL5486124 0.81 CCNA2 (0.47) CCNA2CDK2CDK5CDK5R1ZAP70
SCHEMBL4478062 0.81 CCNA2 (0.87) CCNA2CDK2CDK5CDK5R1ZAP70

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-1740576-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. Hoffman-la Roche AG (CH) 2007-01-10 EP claimed
WO-2005103034-A1 NOVEL PIPERIDINE SUBSTITUTED DIAMINOTHIAZOLES F. HOFFMAN-LA ROCHE AG (CH) 2005-11-03 WO claimed