SCHEMBL6629776

SCHEMBL6629776

C[C@H](Oc1cccc(NC(=O)Nc2csc(-c3ccccc3)n2)n1)C1CCCN1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 8/20 0.45
CDK5R1 Q15078 8/20 0.45
CCNA2 P20248 3/20 0.45
CDK2 P24941 3/20 0.45
CCNA1 P78396 3/20 0.45
DYRK1A Q13627 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
CHEK1 O14757 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
NPY5R Q15761 1/20 0.35
SLC6A3 Q01959 3/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
DHFR P00374 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
SCHEMBL6629769 1.00 CDK5 (0.45) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5341550 0.94 CDK5 (0.49) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5348521 0.91 CDK5 (0.49) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5349504 0.88 CDK5 (0.39) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5345327 0.88 CDK5 (0.40) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5346428 0.87 CDK5 (0.33) CDK5CDK5R1RAB9ASLC6A3SLC6A2
SCHEMBL5348169 0.87 CDK5 (0.41) CDK5CDK5R1RAB9ASLC6A3SLC6A2
SCHEMBL5353323 0.86 P2RY1 (0.37) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5346938 0.86 CDK5 (0.47) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5338114 0.86 BTK (0.36) CDK5CDK5R1RAB9ASLC6A3SLC6A2

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