SCHEMBL14558441

SCHEMBL14558441

CCN(CC)C(=O)C1CCCN(Cc2cccc(NC(=O)Nc3csc(-c4ccncc4)n3)n2)C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.49
CDK5 Q00535 4/20 0.49
CDK5R1 Q15078 4/20 0.49
ALDH1A1 P00352 5/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.45
DYRK1A Q13627 1/20 0.44
RAB9A P51151 1/20 0.44
MAPT P10636 1/20 0.43
HSD17B10 Q99714 1/20 0.42
AKT1 P31749 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL5345091 0.89 CDK5 (0.51) KDM4ECDK5CDK5R1ALDH1A1DYRK1A
SCHEMBL5345568 0.88 CDK5 (0.51) KDM4ECDK5CDK5R1ALDH1A1DYRK1A
SCHEMBL5347535 0.88 ALDH1A1 (0.51) KDM4ECDK5CDK5R1ALDH1A1DYRK1A
Hydrochloric Acid SCHEMBL5345553 0.87 CDK5 (0.50) KDM4ECDK5CDK5R1ALDH1A1DYRK1A
Hydrochloric Acid SCHEMBL5345510 0.87 ALDH1A1 (0.50) KDM4ECDK5CDK5R1ALDH1A1DYRK1A
SCHEMBL5347630 0.86 CDK5 (0.54) KDM4ECDK5CDK5R1ALDH1A1DYRK1A
SCHEMBL5345281 0.86 CDK5 (0.54) KDM4ECDK5CDK5R1ALDH1A1DYRK1A
SCHEMBL5341523 0.86 CDK5 (0.54) KDM4ECDK5CDK5R1ALDH1A1DYRK1A
SCHEMBL5339135 0.85 CDK5 (0.53) CDK5CDK5R1ALDH1A1HTTDYRK1A
SCHEMBL5342527 0.83 CDK5 (0.60) CDK5CDK5R1DYRK1A

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
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