SCHEMBL21067786

SCHEMBL21067786

NC[C@H]1CN(c2c(-c3ccccc3)cnc3[nH]ncc23)CCO1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 1.00
CHEK2 O96017 11/20 1.00
PRKCQ Q04759 1/20 0.41
MAP4K1 Q92918 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
AKT2 P31751 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL4736365 1.00 CHEK1 (1.00) CHEK1CHEK2PRKCQMAP4K1ADORA2A
SCHEMBL14162751 0.90 CHEK1 (0.82) CHEK1CHEK2PRKCQMAP4K1LRRK2
SCHEMBL14162747 0.90 CHEK1 (0.82) CHEK1CHEK2PRKCQMAP4K1AKT2
SCHEMBL14162776 0.89 CHEK1 (0.80) CHEK1CHEK2LMNAMAPT
SCHEMBL14162742 0.89 CHEK1 (0.79) CHEK1CHEK2PRKCQMAP4K1LRRK2
SCHEMBL14162752 0.87 CHEK1 (0.77) CHEK1CHEK2PRKCQMAP4K1AKT2
SCHEMBL14163052 0.87 CHEK1 (0.77) CHEK1CHEK2PRKCQMAP4K1
SCHEMBL14162771 0.86 CHEK1 (1.00) CHEK1CHEK2PRKCQMAP4K1AKT2
SCHEMBL14162774 0.86 CHEK1 (0.74) CHEK1CHEK2PRKCQMAP4K1
SCHEMBL14162749 0.85 CHEK1 (0.74) CHEK1CHEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed