SCHEMBL6627239

SCHEMBL6627239

NC(=O)Nc1csc(-c2ccccc2)n1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 5/20 0.66
CDK5R1 Q15078 5/20 0.66
CCNA2 P20248 2/20 0.66
CDK2 P24941 2/20 0.66
CCNA1 P78396 2/20 0.66
TDP1 Q9NUW8 2/20 0.54
HDAC1 Q13547 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL5689927 0.87 CDK5 (0.63) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL11507528 0.84 CDK5 (0.62) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL7332982 0.84 CDK5 (0.58) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL6758522 0.84 HDAC6 (0.58) CDK5CDK5R1HDAC6KDM4EMEN1
SCHEMBL31341012 0.77 CDK5 (0.57) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL7122988 0.76 CDK5 (0.53) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL12803498 0.75 CDK5 (0.69) CDK5CDK5R1CCNA2CDK2CCNA1
Butane SCHEMBL5342962 0.75 CDK5 (0.55) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL31061165 0.75 CDK5 (1.00) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL9830880 0.75 CDK5 (0.52) CDK5CDK5R1CCNA2CDK2CCNA1

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 claimed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO claimed