SCHEMBL6632115

SCHEMBL6632115

O=C(Nc1cccc(OCCC2CCN(C(=O)O)CC2)n1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.51
CDK5R1 Q15078 8/20 0.51
DYRK1A Q13627 1/20 0.45
CCNA2 P20248 3/20 0.41
CDK2 P24941 3/20 0.41
CCNA1 P78396 3/20 0.41
ROCK1 Q13464 3/20 0.40
ACHE P22303 4/20 0.38
GSK3B P49841 4/20 0.38
BCHE P06276 3/20 0.38
CPT1A P50416 1/20 0.37
GPR142 Q7Z601 1/20 0.36
NPY5R Q15761 1/20 0.36
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35

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
SCHEMBL5342297 0.95 CDK5 (0.47) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5345512 0.91 CDK5 (0.61) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5344526 0.90 CDK5 (0.49) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5342417 0.88 CDK5 (0.51) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5343463 0.88 CDK5 (0.47) CDK5CDK5R1DYRK1AROCK1
SCHEMBL5338010 0.87 CDK5 (0.53) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL14558881 0.85 ACKR3 (0.48) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL6630678 0.85 CDK5 (0.53) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL6629746 0.85 BTK (0.41) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5337550 0.82 CDK5 (0.46) CDK5CDK5R1DYRK1ACCNA2CDK2

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-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
EP-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO disclosed