SCHEMBL3679696

SCHEMBL3679696

CC(C)C(CO)Nc1nc(NCc2cc(F)ccc2F)c2ncn(C(C)C)c2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.70
CCNB2 O95067 5/20 0.70
CCNB1 P14635 5/20 0.70
CCNB3 Q8WWL7 5/20 0.70
CDK2 P24941 13/20 0.68
CCNE1 P24864 4/20 0.68
CDK5 Q00535 10/20 0.67
CDK5R1 Q15078 10/20 0.67
CDK9 P50750 3/20 0.67
CCNT1 O60563 2/20 0.67
CDK7 P50613 1/20 0.67
CCNH P51946 1/20 0.67
KDM4E B2RXH2 3/20 0.61
MAPT P10636 3/20 0.61
CLK1 P49759 2/20 0.61
RAB9A P51151 1/20 0.61
CCNA2 P20248 7/20 0.59
CCNA1 P78396 7/20 0.59
DYRK1A Q13627 7/20 0.59
MEN1 O00255 2/20 0.59

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
SCHEMBL15117865 0.92 CDK2 (0.79) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL1354321 0.91 CDK1 (0.68) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL3675413 0.88 CDK2 (0.85) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL15118014 0.84 CDK2 (0.73) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL15118120 0.83 CDK2 (0.79) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL1352448 0.82 CDK2 (0.74) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL15117936 0.82 CDK2 (0.65) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL15118140 0.82 CDK2 (0.79) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL1354640 0.81 CDK1 (0.81) CDK1CCNB2CCNB1CCNB3CDK2
SCHEMBL15117970 0.81 CDK2 (0.80) CDK1CCNB2CCNB1CCNB3CDK2

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 3 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-20080160166-A1 POLYMER COATING FOR MEDICAL DEVICES RYPACEK FRANTISEK 2008-07-03 US disclosed
EP-1492581-B1 POLYMER COATING FOR MEDICAL DEVICES CV THERAPEUTICS INC (US) 2006-12-20 EP disclosed