SCHEMBL8716028

SCHEMBL8716028

Clc1ncnc2nc[nH]c12.[KH]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
PI4KA P42356 2/20 0.55
PI4K2B Q8TCG2 2/20 0.55
PI4K2A Q9BTU6 2/20 0.55
PI4KB Q9UBF8 2/20 0.55
LRRK2 Q5S007 2/20 0.55
DRD3 P35462 1/20 0.55
XDH P47989 1/20 0.55
G6PD P11413 1/20 0.53
PDPK1 O15530 2/20 0.50
TP53 P04637 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CHEK1 O14757 1/20 0.50
AURKA O14965 1/20 0.50
CHEK2 O96017 1/20 0.50
HSP90AA1 P07900 1/20 0.50
HSP90AB1 P08238 1/20 0.50
PRKACA P17612 1/20 0.50
CCNE1 P24864 1/20 0.50
CDK2 P24941 1/20 0.50

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
SCHEMBL29559610 0.98 LMNA (0.57) LMNAPI4KAPI4K2BPI4K2API4KB
SCHEMBL9082 0.98 LMNA (0.57) LMNAPI4KAPI4K2BPI4K2API4KB
SCHEMBL30834859 0.96 LMNA (0.55) LMNAPI4KAPI4K2BPI4K2API4KB
Hydrochloric Acid SCHEMBL11162217 0.96 PI4KA (0.59) LMNAPI4KAPI4K2BPI4K2API4KB
SCHEMBL9798930 0.96 LMNA (0.55) LMNAPI4KAPI4K2BPI4K2API4KB
Water SCHEMBL27775008 0.96 LMNA (0.55) LMNAPI4KAPI4K2BPI4K2API4KB
Iodomethane SCHEMBL27477608 0.92 LRRK2 (0.52) LMNAPI4KAPI4K2BPI4K2API4KB
Hypoxanthine SCHEMBL11439075 0.88 ALDH1A1 (0.67) LMNAPI4KAPI4K2BPI4K2API4KB
SCHEMBL27527190 0.88 LRRK2 (0.49) LMNAPI4KAPI4K2BPI4K2API4KB
Acetonitrile SCHEMBL27657503 0.87 TP53 (0.47) LMNAPI4KAPI4K2BPI4K2API4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821357-A REACTING ALPHA-ANOMER ENRICHED 2,2-DIFLUOROCARBOHYDRATE WITH AT LEAST TWO MOLAR EQUIVALENTS OF METAL DERIVATIVE OF NUCLEOBASE IN LOW FREEZING INERT SOLVENT ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
EP-0577303-B1 Stereoselective glycosylation process LILLY CO ELI (US) 1997-10-01 EP disclosed
EP-0577303-A1 Stereoselective glycosylation process ELI LILLY AND COMPANY (US) 1994-01-05 EP disclosed