Sugi Predict

Sugi Predict / Compounds / SCHEMBL14136732

SCHEMBL14136732

SCHEMBL14136732

COC(=O)[C@@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)CC1CCCN(C(=N)N)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ IL2RA P01589 1/20 1.00
▸ ALB P02768 1/20 1.00
▸ IL2 P60568 1/20 1.00
▸ ITGB1 P05556 1/20 0.52
▸ ITGA4 P13612 1/20 0.52
▸ YAP1 P46937 10/20 0.51
▸ GAA P10253 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
SCHEMBL6860593 1.00 IL2RA (1.00) IL2RAALBIL2ITGB1ITGA4
SCHEMBL6860596 1.00 IL2RA (1.00) IL2RAALBIL2ITGB1ITGA4
SCHEMBL14136720 1.00 IL2RA (1.00) IL2RAALBIL2ITGB1ITGA4
SCHEMBL15159838 0.92 IL2RA (0.85) IL2RAALBIL2ITGB1ITGA4
SCHEMBL4323694 0.91 IL2RA (0.84) IL2RAALBIL2ITGB1ITGA4
SCHEMBL4323700 0.91 IL2RA (0.84) IL2RAALBIL2ITGB1ITGA4
SCHEMBL4993522 0.91 IL2RA (0.84) IL2RAALBIL2ITGB1ITGA4
SCHEMBL4323684 0.91 IL2RA (0.84) IL2RAALBIL2ITGB1ITGA4
SCHEMBL12156024 0.91 IL2RA (0.84) IL2RAALBIL2ITGB1ITGA4
SCHEMBL15832297 0.91 IL2RA (0.84) IL2RAALBIL2ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8389501-B2 Anticancer compound Saifullah (PK) 2013-03-05 — — US disclosed
US-20130018025-A1 Anticancer Compound HEJ RESEARCH INSTITUTE OF CHEMISTRY (PK) 2013-01-17 — — US disclosed
US-8329678-B1 Antiinflammatory compound ULLAH SAIF (PK) 2012-12-11 — — US disclosed