SCHEMBL31169592

SCHEMBL31169592

Cc1cc(-c2ccnc(Nc3ccc(N4CCC(C5OCCO5)CC4)cc3)n2)ccc1CNC(=O)N1CC(OC(C)C)C1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 11/20 0.67
▸ BTK Q06187 10/20 0.67
▸ CD69 Q07108 2/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ HRH2 P25021 1/20 0.67
▸ CDK7 P50613 1/20 0.67
▸ AAK1 Q2M2I8 1/20 0.67
▸ MAP3K19 Q56UN5 1/20 0.67
▸ CDKL2 Q92772 1/20 0.67
▸ RIOK1 Q9BRS2 1/20 0.67
▸ RIOK2 Q9BVS4 1/20 0.67
▸ BMP2K Q9NSY1 1/20 0.67
▸ JAK3 P52333 8/20 0.46
▸ JAK1 P23458 4/20 0.46

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
SCHEMBL25173793 1.00 JAK2 (0.67) JAK2BTKCD69CYP3A4HRH2
SCHEMBL25170750 0.90 BTK (0.69) JAK2BTKCD69CYP3A4HRH2
SCHEMBL25167754 0.89 JAK2 (0.69) JAK2BTKCD69CYP3A4HRH2
SCHEMBL30434060 0.89 BTK (0.71) JAK2BTKCD69CYP3A4HRH2
SCHEMBL25169912 0.89 BTK (0.71) JAK2BTKCD69CYP3A4HRH2
SCHEMBL31169595 0.87 BTK (0.66) JAK2BTKCD69CYP3A4HRH2
SCHEMBL25174017 0.87 BTK (0.66) JAK2BTKCD69CYP3A4HRH2
SCHEMBL30433480 0.86 BTK (0.65) JAK2BTKCD69CYP3A4HRH2
SCHEMBL25170629 0.86 BTK (0.65) JAK2BTKCD69CYP3A4HRH2
SCHEMBL25176776 0.85 BTK (0.67) JAK2BTKCD69CYP3A4HRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4428130-A1 COMPOUND HAVING BTK PROTEIN DEGRADATION ACTIVITY, AND MEDICAL USES THEREOF Ubix Therapeutics, Inc. (KR) 2024-09-11 — — EP disclosed
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