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Sugi Predict / Compounds / SCHEMBL31331397

SCHEMBL31331397

SCHEMBL31331397

O=C1CCN(N2C(=O)c3ccc(CN4CCN(C5CCN(c6ncc(C(=O)Nc7ccc(OC(F)(F)Cl)cc7)cc6-c6cc[nH]n6)CC5)CC4)cc3C2=O)C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 20/20 0.54
▸ KCNH2 Q12809 2/20 0.47
▸ BCR P11274 1/20 0.47
▸ CRBN Q96SW2 1/20 0.47

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
SCHEMBL31331473 0.98 ABL1 (0.54) ABL1KCNH2BCRCRBN
SCHEMBL31331566 0.94 ABL1 (0.52) ABL1
SCHEMBL31331095 0.92 ABL1 (0.52) ABL1KCNH2BCRCRBN
SCHEMBL31331126 0.91 ABL1 (0.51) ABL1KCNH2BCRCRBN
SCHEMBL31330815 0.89 ABL1 (0.52) ABL1KCNH2BCRCRBN
SCHEMBL31331294 0.89 ABL1 (0.51) ABL1KCNH2BCRCRBN
SCHEMBL31331442 0.88 ABL1 (0.48) ABL1KCNH2BCRCRBN
SCHEMBL31101051 0.87 ABL1 (0.56) ABL1KCNH2BCRCRBN
SCHEMBL31099648 0.87 ABL1 (0.57) ABL1KCNH2BCRCRBN
SCHEMBL31331403 0.86 ABL1 (0.49) ABL1KCNH2BCRCRBN

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-2024245443-A1 COMPOUND BASED ON OXOISOINDOLINYL SUBSTITUTED TETRAHYDRO-2-PYRIMIDONE, AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-12-05 — — WO claimed
WO-2024245443-A1 COMPOUND BASED ON OXOISOINDOLINYL SUBSTITUTED TETRAHYDRO-2-PYRIMIDONE, AND USE THEREOF 标新生物医药科技(上海)有限公司 2024-12-05 — — WO disclosed
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