SCHEMBL3676338

SCHEMBL3676338

CC(C)n1cnc2c(NCc3cc(F)ccc3F)nc(N(CCO)NCCO)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.51
CCNE1 P24864 13/20 0.51
CCNE2 O96020 11/20 0.51
CDK5 Q00535 8/20 0.51
CDK1 P06493 4/20 0.51
CDK5R1 Q15078 6/20 0.51
CCNT1 O60563 4/20 0.51
CDK9 P50750 4/20 0.51
CDK7 P50613 2/20 0.50
CCNH P51946 2/20 0.50
CCNB1 P14635 2/20 0.50
PDE5A O76074 1/20 0.50
CCNA2 P20248 1/20 0.50
MNAT1 P51948 1/20 0.50
PDE4D Q08499 1/20 0.50
PDE10A Q9Y233 1/20 0.50
CCNT2 O60583 1/20 0.47
NPC1 O15118 1/20 0.47
CSNK1D P48730 1/20 0.46
CLK2 P49760 1/20 0.46

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
SCHEMBL3679286 0.89 CCNE1 (0.65) CDK2CCNE1CCNE2CDK5CDK1
SCHEMBL3679696 0.76 CDK1 (0.70) CDK2CCNE1CCNE2CDK5CDK1
SCHEMBL3681929 0.75 CCNE2 (0.77) CDK2CCNE1CCNE2CDK5CDK1
SCHEMBL3675413 0.75 CDK2 (0.85) CDK2CCNE1CCNE2CDK5CDK1
SCHEMBL3684377 0.75 CDK2 (0.79) CDK2CCNE1CCNE2CDK5CDK1
SCHEMBL5828466 0.74 CCNE2 (0.56) CDK2CCNE1CCNE2CDK5CDK1
SCHEMBL3680752 0.70 CCNE1 (0.82) CDK2CCNE1CCNE2CDK5CDK1
SCHEMBL14071580 0.69 CDK2 (0.85) CDK2CCNE1CCNE2CDK5CDK1
SCHEMBL15118212 0.69 CDK2 (0.71) CDK2CCNE1CCNE2CDK5CDK1
SCHEMBL5828748 0.69 CCNE1 (0.75) CDK2CCNE1CCNE2CDK5CDK1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1764118-B1 Polymer coating for medical devices GILEAD PALO ALTO INC (US) 2010-08-25 EP disclosed
US-7419709-B2 Polymer coating for medical devices CV THERAPEUTICS, INC. (US) 2008-09-02 US disclosed
US-20080160166-A1 POLYMER COATING FOR MEDICAL DEVICES RYPACEK FRANTISEK 2008-07-03 US disclosed
US-7364768-B2 Polymer coating for medical devices CV THERAPEUTICS, INC. (US) 2008-04-29 US disclosed
US-20070071926-A1 Polymer coating for medical devices RYPACEK FRANTISEK 2007-03-29 US disclosed
US-20070071879-A1 Polymer coating for medical devices RYPACEK FRANTISEK 2007-03-29 US disclosed
EP-1764118-A2 Polymer coating for medical devices CV THERAPEUTICS, INC. (US) 2007-03-21 EP disclosed
EP-1492581-B1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS INC (US) 2006-12-20 EP disclosed
US-20060093771-A1 Polymer coating for medical devices CV THERAPEUTICS, INC. 2006-05-04 US disclosed
EP-1492581-A1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS, INC. (US) 2005-01-05 EP disclosed
WO-2003068289-A1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS, INC. (US) 2003-08-21 WO disclosed