SCHEMBL3675413

SCHEMBL3675413

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

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 15/20 0.85
CCNE1 P24864 13/20 0.85
CDK9 P50750 8/20 0.85
CDK5 Q00535 7/20 0.85
CCNT1 O60563 6/20 0.85
CDK5R1 Q15078 5/20 0.85
CDK1 P06493 8/20 0.70
CCNB1 P14635 6/20 0.70
CCNB2 O95067 4/20 0.70
CCNB3 Q8WWL7 4/20 0.70
CACNA1B Q00975 3/20 0.70
CCNE2 O96020 2/20 0.70
CCNT2 O60583 1/20 0.70
CDK7 P50613 6/20 0.68
CCNH P51946 4/20 0.68
CCNK O75909 4/20 0.68
CDK12 Q9NYV4 4/20 0.68
CDK4 P11802 3/20 0.68
CCND1 P24385 3/20 0.68
MAPK1 P28482 3/20 0.68

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
SCHEMBL15117748 0.92 CDK2 (1.00) CDK2CCNE1CDK9CDK5CCNT1
SCHEMBL1353962 0.91 CDK2 (0.82) CDK2CCNE1CDK9CDK5CCNT1
SCHEMBL3679696 0.88 CDK1 (0.70) CDK2CCNE1CDK9CDK5CCNT1
SCHEMBL15117914 0.85 CDK2 (0.87) CDK2CCNE1CDK9CDK5CCNT1
SCHEMBL1441193 0.84 CDK2 (0.85) CDK2CCNE1CDK9CDK5CCNT1
SCHEMBL15117892 0.83 CDK2 (1.00) CDK2CCNE1CDK9CDK5CCNT1
Olomoucine Ii SCHEMBL786673 0.83 CDK2 (1.00) CDK2CCNE1CDK9CDK5CCNT1
Olomoucine Ii SCHEMBL3514137 0.83 CDK2 (1.00) CDK2CCNE1CDK9CDK5CCNT1
Olomoucine Ii SCHEMBL31069520 0.83 CDK2 (1.00) CDK2CCNE1CDK9CDK5CCNT1
SCHEMBL15118130 0.82 CDK2 (1.00) CDK2CCNE1CDK9CDK5CCNT1

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