SCHEMBL6630682

SCHEMBL6630682

CN1CCC(C(=O)C(COc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)C2CCNC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.51
CDK5R1 Q15078 9/20 0.51
DYRK1A Q13627 1/20 0.39
ROCK1 Q13464 2/20 0.36
CCNA2 P20248 3/20 0.35
CDK2 P24941 3/20 0.35
CCNA1 P78396 3/20 0.35
POLQ O75417 1/20 0.34
PRKCI P41743 3/20 0.34
CHEK1 O14757 1/20 0.34
ROCK2 O75116 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
HTR1F P30939 1/20 0.32
PDE6D O43924 1/20 0.32

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
SCHEMBL5354577 0.88 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5348899 0.81 CDK5 (0.46) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5339061 0.80 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5345465 0.80 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5342684 0.79 CDK5 (0.62) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL6867013 0.79 CDK5 (0.47) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5345512 0.78 CDK5 (0.61) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5348280 0.78 CDK5 (0.53) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5345440 0.77 CDK5 (0.59) CDK5CDK5R1DYRK1AROCK1CCNA2
SCHEMBL5345581 0.77 CDK5 (0.47) CDK5CDK5R1DYRK1AROCK1CCNA2

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-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed