SCHEMBL5344700

SCHEMBL5344700

O=C(Nc1cccc(OCC2CCOC2)n1)Nc1csc(-c2ccncc2)n1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 7/20 0.53
CDK5R1 Q15078 7/20 0.53
DYRK1A Q13627 1/20 0.43
GRM4 Q14833 8/20 0.42
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CCNA1 P78396 3/20 0.42
ROCK1 Q13464 1/20 0.42
GRM5 P41594 2/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL5346692 0.86 CDK5 (0.45) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5346073 0.85 CDK5 (0.54) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5341539 0.85 CDK5 (0.50) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5343883 0.85 CDK5 (0.56) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5342625 0.84 CDK5 (0.53) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL14558866 0.84 CDK5 (0.53) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5342684 0.84 CDK5 (0.62) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5352258 0.84 CDK5 (0.53) CDK5CDK5R1DYRK1AGRM4CCNA2
SCHEMBL5348280 0.84 CDK5 (0.53) CDK5CDK5R1DYRK1ACCNA2CDK2
SCHEMBL5348448 0.84 CDK5 (0.59) 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
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US claimed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed
US-7196104-B2 Thiazolyl urea compounds and methods of uses AMGEN, INC. (US) 2007-03-27 US disclosed