SCHEMBL9876945

SCHEMBL9876945

CC(COc1cccc(-n2nc(-c3ccc(F)cc3)c3cccnc32)c1)CN(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37
CDK1 P06493 1/20 0.37
CDK4 P11802 1/20 0.37
CCNB1 P14635 1/20 0.37
CCND1 P24385 1/20 0.37
CDK7 P50613 1/20 0.37
CCNH P51946 1/20 0.37
GAA P10253 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
POLB P06746 1/20 0.35
HIF1A Q16665 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
FABP4 P15090 2/20 0.33
TP53 P04637 1/20 0.33
MAPK14 Q16539 1/20 0.33
PDE4A P27815 1/20 0.33
KCNH2 Q12809 1/20 0.33
NR3C1 P04150 1/20 0.32

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
SCHEMBL9876520 0.92 PTGER1 (0.38) CCNA2CDK2HIF1AMEN1KMT2A
SCHEMBL9876885 0.91 CCNA2 (0.37) CCNA2CDK2GAARXFP1POLB
SCHEMBL9877691 0.89 CCNA2 (0.39) CCNA2CDK2CDK1CDK4CCNB1
SCHEMBL9876728 0.88 CDK1 (0.38) CCNA2CDK2CDK1CDK4CCNB1
SCHEMBL9236551 0.87 GAA (0.35) CCNA2CDK2GAARXFP1MEN1
Maleic Acid SCHEMBL9237812 0.85 PTGER1 (0.40) CCNA2CDK2MEN1KMT2APDE4A
Fumaric Acid SCHEMBL9237819 0.85 PTGER1 (0.40) CCNA2CDK2MEN1KMT2APDE4A
Fumaric Acid SCHEMBL9234660 0.84 NPSR1 (0.38) CCNA2CDK2GAAPOLBKMT2A
Maleic Acid SCHEMBL9234653 0.84 NPSR1 (0.38) CCNA2CDK2GAAPOLBKMT2A
SCHEMBL9231684 0.84 ALOX5 (0.42) CCNA2CDK2CDK1CDK4CCNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5006520-A Antibiotics, antitumor agents, treatment of blood disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed