Sugi Predict

Sugi Predict / Compounds / SCHEMBL23083286

SCHEMBL23083286

SCHEMBL23083286

COc1ccc(-c2ccc3nc(-c4cc(-c5cnn(C6CCNCC6)c5)cnc4N)oc3c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GRK5 P34947 16/20 1.00
▸ GRK2 P25098 8/20 1.00
▸ MET P08581 7/20 0.76
▸ FLT3 P36888 1/20 0.76
▸ KCNH2 Q12809 2/20 0.72
▸ ALK Q9UM73 1/20 0.69

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
SCHEMBL13577835 0.87 GRK5 (0.83) GRK5GRK2METFLT3KCNH2
SCHEMBL23083306 0.86 GRK5 (1.00) GRK5GRK2METFLT3
SCHEMBL13577796 0.86 GRK5 (0.85) GRK5GRK2METFLT3KCNH2
SCHEMBL13577797 0.85 MET (0.87) GRK5GRK2METFLT3KCNH2
SCHEMBL23083295 0.85 GRK5 (1.00) GRK5GRK2METFLT3KCNH2
SCHEMBL2387310 0.84 MET (0.80) GRK5GRK2METFLT3ALK
SCHEMBL13577846 0.84 MET (0.83) GRK5GRK2METFLT3KCNH2
SCHEMBL29351419 0.84 MET (1.00) GRK5GRK2METFLT3KCNH2
SCHEMBL2384060 0.84 MET (1.00) GRK5GRK2METFLT3KCNH2
Hydrochloric Acid SCHEMBL2748533 0.83 MET (1.00) GRK5GRK2METFLT3KCNH2

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-20230035892-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING, INC. 2023-02-02 — — US disclosed
WO-2021046225-A1 METHODS AND COMPOSITIONS FOR TREATING CANCER FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2021-03-11 — — WO disclosed