SCHEMBL8685666

SCHEMBL8685666

O=C1C=C(c2c[nH]c3ccccc23)C(=O)N1CCCO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.52
PRKACA P17612 2/20 0.52
PRKACG P22612 2/20 0.52
PRKACB P22694 2/20 0.52
CCND1 P24385 2/20 0.52
MAPT P10636 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
SIRT2 Q8IXJ6 3/20 0.47
SIRT1 Q96EB6 1/20 0.47
PTPRC P08575 1/20 0.45
PTPRF P10586 1/20 0.45
PTPN1 P18031 1/20 0.45
CDC25B P30305 1/20 0.45
CCNB2 O95067 3/20 0.43
CDK1 P06493 3/20 0.43
CCNB1 P14635 3/20 0.43
CCNB3 Q8WWL7 3/20 0.43
CAMK2D Q13557 2/20 0.43
PIM1 P11309 2/20 0.43
PRKD3 O94806 1/20 0.43

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
SCHEMBL14560456 0.88 SIRT2 (0.50) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL8685689 0.88 MAPT (0.47) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL8478365 0.82 SIRT2 (0.63) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL5879168 0.77 SIRT2 (0.63) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL8478364 0.75 CAMK2D (0.43) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL8685658 0.72 CHEK1 (0.40) PRKACAPRKACGPRKACBMAPTTDP1
SCHEMBL7816235 0.72 PTPRC (0.50) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL30612232 0.72 PTPRC (0.50) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL8478369 0.71 SIRT2 (0.50) CDK4PRKACAPRKACGPRKACBCCND1
SCHEMBL7857767 0.69 DRD2 (0.50) MAPTTDP1MEN1NPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843935-A Protein kinase C inhibitors ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
US-5821365-A COMPOUNDS AS ENZYME INHIBITORS FOR KINASES FORMED BY REACTION OF AMINE WITH ANHYDRIDE GROUP TO FORM INDOLMALEIMIDE MACROCYCLES ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5780461-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1998-07-14 US disclosed
US-5739322-A INHIBITORS OF PROTEIN KINASE C IN MAMMALS ELI LILLY AND COMPANY (US) 1998-04-14 US disclosed
US-5719175-A ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1998-02-17 US disclosed
US-5698578-A BIS-INDOLEMALEIMIDE MACROCYCLE DERIVATIVES; TREATMENT OF DIABETES ELI LILLY AND COMPANY (US) 1997-12-16 US disclosed
US-5696108-A ADMINISERING TO THE MAMMAL BIS-INDOLEMALEIMIDE MACROCYCLIC DERIVATIVE AS ANTIINFLAMMATORY AGENT ELI LILLY AND COMPANY (US) 1997-12-09 US disclosed
US-5674862-A USING A BIS(INDOLEMALEIMIDE) MACROCYCLE DERIVATIVE ELI LILLY AND COMPANY (US) 1997-10-07 US disclosed