SCHEMBL6239798

SCHEMBL6239798

O=C(O[C@@H]1CN[C@@H](C#Cc2cc3ncnc(Nc4ccc5c(cnn5Cc5ccccc5)c4)c3s2)C1)N1CCOCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 1.00
ERBB2 P04626 18/20 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
SCHEMBL6234573 1.00 EGFR (1.00) EGFRERBB2
SCHEMBL6234567 1.00 EGFR (1.00) EGFRERBB2
SCHEMBL6240178 1.00 EGFR (1.00) EGFRERBB2
SCHEMBL6236386 1.00 EGFR (1.00) EGFRERBB2
Hydrochloric Acid SCHEMBL6237360 0.99 EGFR (0.99) EGFRERBB2
Hydrochloric Acid SCHEMBL6234761 0.99 EGFR (0.99) EGFRERBB2
Hydrochloric Acid SCHEMBL6234766 0.99 EGFR (0.99) EGFRERBB2
SCHEMBL6235472 0.95 EGFR (0.90) EGFRERBB2
SCHEMBL6241062 0.95 EGFR (0.90) EGFRERBB2
SCHEMBL6232669 0.95 EGFR (0.90) EGFRERBB2

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-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO claimed
WO-2005007083-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-01-27 WO disclosed