Sugi Predict

Sugi Predict / Compounds / Diethylamine

Diethylamine

Diethylamine

SCHEMBL4255489

CCNCC.Nc1ncnc(Nc2ccc(OCc3ccccc3)c(Cl)c2)c1C(=O)O

nearest known ligand 0.89

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCKAR

The experimentally established mechanism targets of Diethylamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 18/20 0.89
▸ ERBB2 P04626 17/20 0.89
▸ AURKA O14965 1/20 0.63

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
SCHEMBL3973368 0.94 ERBB2 (1.00) EGFRERBB2AURKA
SCHEMBL1105428 0.88 EGFR (1.00) EGFRERBB2AURKA
SCHEMBL1096310 0.87 ERBB2 (1.00) EGFRERBB2AURKA
SCHEMBL4090152 0.86 EGFR (0.78) EGFRERBB2AURKA
SCHEMBL3974260 0.85 EGFR (1.00) EGFRERBB2AURKA
SCHEMBL4255492 0.85 EGFR (0.80) EGFRERBB2AURKA
SCHEMBL13873522 0.83 EGFR (0.78) EGFRERBB2AURKA
SCHEMBL13884430 0.83 ERBB2 (0.81) EGFRERBB2AURKA
SCHEMBL13873526 0.82 EGFR (0.86) EGFRERBB2AURKA
SCHEMBL12851528 0.81 EGFR (0.74) EGFRERBB2AURKA

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
WO-2009055299-A1 SUBSTITUTED PYRIMIDINE-5-CARBOXAMIDE AND 5-CARBOXYLIC ESTER KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-30 — — WO disclosed