SCHEMBL31278495

SCHEMBL31278495

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc3c2n(-c2ccc(Oc4ccccc4)cc2)c(=O)n3[C@@H]2CN(C(=O)OC(C)(C)C)CC(F)(F)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 20/20 0.46
▸ EGFR P00533 1/20 0.42
▸ TEC P42680 1/20 0.42
▸ CD69 Q07108 1/20 0.42

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
SCHEMBL32664459 1.00 BTK (0.46) BTKEGFRTECCD69
SCHEMBL31278388 0.93 BTK (0.46) BTKEGFRTECCD69
SCHEMBL32664420 0.93 BTK (0.46) BTKEGFRTECCD69
SCHEMBL23450721 0.88 BTK (0.57) BTKEGFRTECCD69
SCHEMBL30111802 0.88 BTK (0.57) BTKEGFRTECCD69
SCHEMBL18290007 0.88 BTK (0.57) BTKEGFRTECCD69
SCHEMBL31278860 0.87 BTK (0.48) BTKEGFRTECCD69
SCHEMBL32664572 0.87 BTK (0.48) BTKEGFRTECCD69
SCHEMBL32664703 0.82 BACE1 (0.36) BTK
SCHEMBL31279119 0.82 BACE1 (0.36) BTK

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
CN-119343340-A Methods of preparing modified BTK inhibitors 普林斯匹亚生物制药公司 2025-01-21 — — CN disclosed
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