SCHEMBL8685683

SCHEMBL8685683

O=C1C=C(c2cc3ccccc3[nH]2)C(=O)N1CCCBr

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.40
CHEK1 O14757 1/20 0.40
NPC1 O15118 3/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
APP P05067 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL8685658 0.88 CHEK1 (0.40) KDRCHEK1NPC1RAB9AMEN1
SCHEMBL7003019 0.73 KDR (0.46) KDRCHEK1NPC1RAB9AMEN1
SCHEMBL8685689 0.72 MAPT (0.47) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL78988 0.72 KDR (0.45) KDRCHEK1NPC1RAB9AMEN1
SCHEMBL28637736 0.72 RAB9A (0.46) KDRCHEK1NPC1RAB9AMEN1
SCHEMBL3959785 0.71 KDR (0.44) KDRCHEK1NPC1RAB9AMEN1
SCHEMBL15758299 0.69 MAPT (0.57) KDRCHEK1NPC1RAB9AMEN1
SCHEMBL8877809 0.66 MAPT (0.47) RAB9AMEN1KMT2AKDM4EALDH1A1
SCHEMBL6999914 0.65 KDR (0.53) KDRCHEK1NPC1RAB9AMEN1
SCHEMBL5454930 0.64 KDR (0.51) KDRCHEK1NPC1RAB9AMEN1

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