SCHEMBL29794863

SCHEMBL29794863

CSc1ccc(-c2ccc3nc4n(c3c2)C(c2ccccc2)CC4)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNF P01375 10/20 0.42
RIPK1 Q13546 6/20 0.33
P2RX7 Q99572 1/20 0.33
MTOR P42345 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32
CLK1 P49759 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
PIK3C3 Q8NEB9 1/20 0.32
LATS2 Q9NRM7 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
CSNK1G3 Q9Y6M4 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
SCHEMBL18150860 1.00 TNF (0.42) TNFRIPK1P2RX7MTORHDAC1
SCHEMBL18151456 0.86 TNF (0.41) TNFRIPK1P2RX7MTORCCNC
SCHEMBL29987453 0.86 TNF (0.41) TNFRIPK1P2RX7MTORCCNC
SCHEMBL18151732 0.84 TNF (0.41) TNFMTOR
SCHEMBL30673123 0.83 NPC1 (0.42) TNFRIPK1MTOR
SCHEMBL16814799 0.83 P2RX7 (0.44) TNFP2RX7MTOR
SCHEMBL18151144 0.83 NPC1 (0.42) TNFRIPK1MTOR
SCHEMBL18151489 0.83 ATM (0.41) TNFMTOR
SCHEMBL18153237 0.82 TNF (0.39) TNFRIPK1P2RX7CCNCCDK8
SCHEMBL18153218 0.82 TNF (0.39) TNFRIPK1P2RX7CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4493221-A2 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2025-01-22 EP disclosed
CN-119212727-A Targeted bifunctional degradants 耶鲁大学 2024-12-27 CN disclosed
WO-2024182772-A2 MANNOSE 6-PHOSPHATE RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2024-09-06 WO disclosed
WO-2023178199-A2 TARGETED BIFUNCTIONAL DEGRADERS YALE UNIVERSITY (US) 2023-09-21 WO disclosed
CN-115315272-A Targeting difunctional degradation agent 耶鲁大学 2022-11-08 CN disclosed
EP-4041262-A1 TARGETED BIFUNCTIONAL DEGRADERS Yale University (US) 2022-08-17 EP disclosed