SCHEMBL7061875

SCHEMBL7061875

O=C(Nc1cccc(N2CCOCC2)n1)Nc1csc(-c2ccccn2)n1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 9/20 0.57
CDK5R1 Q15078 9/20 0.57
CCNA2 P20248 5/20 0.50
CDK2 P24941 5/20 0.50
CCNA1 P78396 5/20 0.50
CLK2 P49760 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
CSNK2A1 P68400 1/20 0.50
STK3 Q13188 1/20 0.50
HIPK4 Q8NE63 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
AR P10275 1/20 0.46
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP1B1 Q16678 1/20 0.46
SCN9A Q15858 1/20 0.45
KDM4E B2RXH2 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL5347393 0.85 CDK5 (0.78) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5347491 0.81 CDK5 (0.71) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5345136 0.80 CDK5 (0.80) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5338684 0.79 CDK5 (0.74) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5338211 0.78 CDK5 (0.70) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL10728987 0.77 AR (0.61) ARCYP1A1CYP1A2CYP1B1KDM4E
SCHEMBL5341603 0.77 CDK5 (0.77) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5341693 0.76 CDK5 (0.80) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL14558383 0.75 CDK5 (0.55) CDK5CDK5R1CCNA2CDK2CCNA1
SCHEMBL5690422 0.74 CDK5 (0.81) 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-1309589-A2 UREA COMPOUNDS AND METHODS OF USES Amgen Inc. (US) 2003-05-14 EP disclosed
WO-2002014311-A2 UREA COMPOUNDS AND METHODS OF USES AMGEN INC. (US) 2002-02-21 WO disclosed