SCHEMBL26098627

SCHEMBL26098627

CCOC(=O)c1cnc2c3c(c(Nc4cccc(-c5ccc(C6OCCO6)cn5)c4)nn12)OCCN3Cc1ccc(OC)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ PIM1 P11309 4/20 0.34
▸ TNIK Q9UKE5 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ AURKA O14965 3/20 0.32
▸ PIM3 Q86V86 2/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ IDO1 P14902 1/20 0.32
▸ ADORA3 P0DMS8 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ ADORA1 P30542 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CTDSP1 Q9GZU7 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL30392226 1.00 MAPT (0.35) MAPTFAAHPIM1TNIKPIM2
SCHEMBL30392635 0.92 TNIK (0.35) TNIKAURKAPIM3PDE1B
SCHEMBL26100395 0.92 TNIK (0.35) TNIKAURKAPIM3PDE1B
SCHEMBL26101621 0.88 MAPT (0.32) MAPTPIM1TNIKPIM2PIM3
SCHEMBL30392428 0.88 TYK2 (0.34) PIM1TNIKAURKAPIM3PDE1B
SCHEMBL26098437 0.88 TYK2 (0.34) PIM1TNIKAURKAPIM3PDE1B
SCHEMBL30392961 0.81 FAAH (0.37) MAPTFAAHAURKANPSR1IDO1
SCHEMBL26100287 0.81 FAAH (0.37) MAPTFAAHAURKANPSR1IDO1
SCHEMBL26100166 0.81 TNIK (0.33) PIM1TNIKPIM3PDE1B
SCHEMBL16812391 0.79 MAPT (0.39) MAPTTNIKPIM3NPSR1IDO1

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
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