SCHEMBL26100395

SCHEMBL26100395

COc1ccc(CN2CCOc3c(Nc4cccc(-c5ccc(C6OCCO6)cn5)c4)nn4c(C(=O)O)cnc4c32)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 2/20 0.35
▸ AURKA O14965 3/20 0.34
▸ PDE1B Q01064 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ TYK2 P29597 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ FYN P06241 1/20 0.33
▸ PIM3 Q86V86 1/20 0.32
▸ AKR1C3 P42330 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ EGFR P00533 1/20 0.32

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
SCHEMBL30392635 1.00 TNIK (0.35) TNIKAURKAPDE1BNPC1RAB9A
SCHEMBL30392226 0.92 MAPT (0.35) TNIKAURKAPDE1BPIM3
SCHEMBL26098627 0.92 MAPT (0.35) TNIKAURKAPDE1BPIM3
SCHEMBL30392428 0.90 TYK2 (0.34) TNIKAURKAPDE1BNPC1RAB9A
SCHEMBL26098437 0.90 TYK2 (0.34) TNIKAURKAPDE1BNPC1RAB9A
SCHEMBL26100166 0.88 TNIK (0.33) TNIKPDE1BMDM2TYK2PDE4D
SCHEMBL26101621 0.81 MAPT (0.32) TNIKMDM2TYK2PDE4DPIM3
SCHEMBL26510925 0.80 TYK2 (0.37) AURKAPDE1BNPC1RAB9ATYK2
Potassium SCHEMBL30392578 0.79 TYK2 (0.37) AURKAPDE1BNPC1RAB9ATYK2
SCHEMBL26099790 0.79 TYK2 (0.37) AURKAPDE1BNPC1RAB9ATYK2

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
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 — — WO disclosed
WO-2023076161-A1 TYK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-05-04 — — WO disclosed
Send feedback