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Sugi Predict / Compounds / SCHEMBL8769934

SCHEMBL8769934

SCHEMBL8769934

O=C1NC(=O)c2c1c1c3cccc(O)c3[nH]c1c1c2c2cccc(O)c2n1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 19/20 1.00
▸ PRKCA P17252 7/20 1.00
▸ EGFR P00533 4/20 1.00

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
SCHEMBL6623957 1.00 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL26846447 0.93 TOP1 (0.87) TOP1PRKCAEGFR
SCHEMBL26843410 0.90 TOP1 (0.85) TOP1PRKCAEGFR
SCHEMBL29435340 0.89 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL8500119 0.89 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL8032333 0.87 TOP1 (0.77) TOP1PRKCAEGFR
SCHEMBL5481070 0.86 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL29376340 0.86 TOP1 (1.00) TOP1PRKCAEGFR
SCHEMBL10027492 0.79 DYRK1A (0.81) TOP1PRKCAEGFR
SCHEMBL5982059 0.79 PRKCA (0.80) TOP1PRKCAEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0528030-B1 ANTITUMOR BE-13793C DERIVATIVE BANYU PHARMA CO LTD (JP) 1997-09-17 — — EP disclosed
US-5536827-A ANTITUMOR BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-07-16 — — US disclosed
US-5478813-A Antitumor substance BE-13793C derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 1995-12-26 — — US disclosed
EP-0528030-A1 ANTITUMOR BE-13793C DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 1993-02-24 — — EP disclosed