SCHEMBL5488900

SCHEMBL5488900

Nc1nc(Nc2ccc([N+]3(C4CCNCC4)CCCC(O)C3)cc2)sc1C(=O)c1cccc(F)c1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 10/20 0.57
CDK5R1 Q15078 10/20 0.57
CCNA2 P20248 8/20 0.56
CDK2 P24941 8/20 0.56
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
KMT2A Q03164 1/20 0.43
ZAP70 P43403 1/20 0.43

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
SCHEMBL5484920 0.93 CDK5 (0.47) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL5481882 0.91 NPC1 (0.54) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL5483911 0.90 CDK5 (0.44) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL5486124 0.90 CCNA2 (0.47) CDK5CDK5R1CCNA2CDK2NPC1
SCHEMBL5483582 0.88 CCNA2 (0.58) CDK5CDK5R1CCNA2CDK2ZAP70
SCHEMBL5488707 0.87 TUBB8B (0.43) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL5479292 0.87 NPC1 (0.47) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL5485272 0.87 CCNA2 (0.47) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL5485359 0.86 TUBB8B (0.53) CDK5CDK5R1CCNA2CDK2MEN1
SCHEMBL5492687 0.86 TUBB8B (0.53) CDK5CDK5R1CCNA2CDK2MEN1

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