SCHEMBL8685689

SCHEMBL8685689

O=C1C=C(c2c[nH]c3ccccc23)C(=O)N1CCCBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
PRKACA P17612 4/20 0.43
PRKACG P22612 4/20 0.43
PRKACB P22694 4/20 0.43
CDK4 P11802 3/20 0.43
CCND1 P24385 3/20 0.43
CCNE2 O96020 2/20 0.43
CCNE1 P24864 2/20 0.43
CDK2 P24941 2/20 0.43
CAMK2D Q13557 2/20 0.43
PIM1 P11309 2/20 0.43
PRKD3 O94806 1/20 0.43
CCNB2 O95067 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
SCHEMBL8685666 0.88 CDK4 (0.52) MAPTTDP1SIRT2SIRT1PTPRC
SCHEMBL14560456 0.88 SIRT2 (0.50) MAPTTDP1SIRT2SIRT1PTPRC
SCHEMBL5879168 0.77 SIRT2 (0.63) MAPTTDP1SIRT2SIRT1PTPRC
SCHEMBL8685683 0.72 KDR (0.40) MAPTPRKACAPRKACGPRKACBPRKD3
SCHEMBL7816235 0.72 PTPRC (0.50) MAPTSIRT2SIRT1PTPRCPTPRF
SCHEMBL30612232 0.72 PTPRC (0.50) MAPTSIRT2SIRT1PTPRCPTPRF
SCHEMBL8478365 0.69 SIRT2 (0.63) MAPTTDP1SIRT2SIRT1PRKACA
SCHEMBL14560480 0.69 SIRT2 (0.67) MAPTTDP1SIRT2SIRT1PRKACA
SCHEMBL7951074 0.68 PTPN1 (0.73) MAPTSIRT2SIRT1PTPRCPTPRF
SCHEMBL14560483 0.68 SIRT2 (0.65) MAPTTDP1SIRT2SIRT1PRKACA

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