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Sugi Predict / Compounds / SCHEMBL7984542

SCHEMBL7984542

SCHEMBL7984542

CC(Nc1nccc(-n2cnc3ccccc32)n1)C1CCCN(C(=O)OCc2ccccc2)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 19/20 1.00
▸ IDH1 O75874 1/20 0.55

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
SCHEMBL7984411 0.93 LCK (0.88) LCKIDH1
SCHEMBL7586925 0.89 LCK (0.81) LCKIDH1
SCHEMBL7986922 0.89 LCK (0.83) LCK
SCHEMBL7552112 0.89 LCK (0.80) LCKIDH1
SCHEMBL7504117 0.88 LCK (1.00) LCK
SCHEMBL7972879 0.88 LCK (1.00) LCK
SCHEMBL7549251 0.88 LCK (0.78) LCKIDH1
SCHEMBL7542450 0.87 LCK (0.77) LCKIDH1
SCHEMBL7547222 0.86 LCK (0.76) LCKIDH1
Dimethylamine SCHEMBL7991420 0.85 LCK (0.84) LCK

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
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 — — US claimed
US-6329380-B1 PYRIMIDINE BENZIMIDIZAZOLE, PYRIMIDINEIMIDAZOLE OR PYRIDINE IMIDAZOLE COMPOUNDS FOR ANTICANCER AGENTS OR ATHEROSCLEROSIS MERCK & CO., INC. 2001-12-11 — — US disclosed