SCHEMBL21067384

SCHEMBL21067384

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 1.00
CHEK2 O96017 11/20 1.00
AKT2 P31751 1/20 0.41
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
KCNH2 Q12809 2/20 0.36
PDE10A Q9Y233 1/20 0.36

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
SCHEMBL4738639 1.00 CHEK1 (1.00) CHEK1CHEK2AKT2PIK3CDPIK3CA
SCHEMBL21067786 0.82 CHEK1 (1.00) CHEK1CHEK2AKT2
SCHEMBL4736365 0.82 CHEK1 (1.00) CHEK1CHEK2AKT2
SCHEMBL14162747 0.80 CHEK1 (0.82) CHEK1CHEK2AKT2
SCHEMBL14162752 0.79 CHEK1 (0.77) CHEK1CHEK2AKT2
SCHEMBL14162776 0.79 CHEK1 (0.80) CHEK1CHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL14162740 0.79 CHEK1 (0.66) CHEK1CHEK2AKT2PIK3CDPIK3CA
SCHEMBL14162751 0.79 CHEK1 (0.82) CHEK1CHEK2PIK3CDPIK3CAPIK3CB
SCHEMBL4738683 0.79 CHEK1 (0.75) CHEK1CHEK2AKT2
SCHEMBL4740082 0.79 CHEK1 (0.67) CHEK1CHEK2AKT2PDE10A

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