SCHEMBL7873644

SCHEMBL7873644

O=C1NC(=O)C(c2cn(CCCO)c3ccccc23)=C1c1cn(CCCO)c2ccccc12

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.80
PRKACG P22612 2/20 0.80
PRKACB P22694 2/20 0.80
CDK4 P11802 1/20 0.80
CCND1 P24385 1/20 0.80
PRKCA P17252 2/20 0.76
PRKCB P05771 1/20 0.76
PRKCE Q02156 1/20 0.76
GSK3B P49841 3/20 0.72
KDR P35968 1/20 0.71
FLT3 P36888 1/20 0.71
IDH1 O75874 1/20 0.68
CAMK2D Q13557 3/20 0.67
PIM1 P11309 2/20 0.67
CCNT1 O60563 1/20 0.67
CCNA2 P20248 1/20 0.67
CDK2 P24941 1/20 0.67
CDK9 P50750 1/20 0.67
CCNB2 O95067 1/20 0.65
CDK1 P06493 1/20 0.65

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
SCHEMBL3139598 0.94 GSK3B (0.78) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL13166904 0.94 CAMK2D (0.78) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL1250687 0.92 GSK3B (0.72) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL30319781 0.92 GSK3B (0.72) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL14522482 0.92 GSK3B (0.69) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL3150613 0.90 PIM1 (0.77) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL8074668 0.89 PRKACA (1.00) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL8166369 0.89 PIM1 (0.75) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL4988746 0.89 GSK3B (0.66) PRKACAPRKACGPRKACBCDK4CCND1
SCHEMBL4679424 0.89 CAMK2D (0.80) PRKACAPRKACGPRKACBCDK4CCND1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657458-B1 Protein kinase C inhibitors LILLY CO ELI (US) 2001-08-22 EP disclosed
US-6057440-A AMINATION AND DEETHERIFICATION OF BISINDOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-05-02 US disclosed
US-5624949-A Protein kinase C inhibitors ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed
US-5621098-A ALKYLATION OF THE CORRESPONDING BISINDOLE COMPOUND; CYCLIZATION; PROTEIN C KINEASE INHIBITOR ELI LILLY AND COMPANY (US) 1997-04-15 US disclosed
US-5552396-A BIS-INDOLEMALEIMIDE MACROCYCLIC DERIVATIVES, ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0657458-A1 Protein kinase C inhibitors ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed