SCHEMBL6650844

SCHEMBL6650844

CCN(CC)CCc1cccc(NC(=O)Nc2nc(-c3ccncc3)sc2Br)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 4/20 0.38
CDK5R1 Q15078 4/20 0.38
CDC7 O00311 5/20 0.37
DBF4 Q9UBU7 5/20 0.37
PRKCA P17252 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 5/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
WRN Q14191 1/20 0.33
FGFR3 P22607 1/20 0.33
PDE10A Q9Y233 1/20 0.33
DYRK1A Q13627 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
SCHEMBL5339268 0.92 CDK5 (0.40) CDK5CDK5R1CDC7DBF4POLB
Hydrochloric Acid SCHEMBL5354413 0.91 CDK5 (0.40) CDK5CDK5R1CDC7DBF4POLB
SCHEMBL5338097 0.80 RAB9A (0.55) CDK5CDK5R1POLBMAPTALDH1A1
SCHEMBL5341200 0.74 CDK5 (0.60) CDK5CDK5R1BLMHPGDDYRK1A
SCHEMBL6629791 0.74 CDK5 (0.54) CDK5CDK5R1PRKCAHPGDDYRK1A
SCHEMBL5354931 0.73 CDK5 (0.58) CDK5CDK5R1BLMHPGDDYRK1A
SCHEMBL14558329 0.72 CDK5 (0.62) CDK5CDK5R1BLMHPGDDYRK1A
SCHEMBL5689495 0.69 CDK5 (0.65) CDK5CDK5R1BLMHPGDDYRK1A
SCHEMBL5347914 0.68 CDK5 (0.46) CDK5CDK5R1PRKCAPOLBMAPT
SCHEMBL5343066 0.68 CDK5 (0.51) CDK5CDK5R1BLMHPGDDYRK1A

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