SCHEMBL6236344

SCHEMBL6236344

O=C(c1ccccc1)c1ccc(Nc2ncnc3cc(C#C[C@H]4CCCN4)sc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.56
ERBB2 P04626 16/20 0.56
ERBB4 Q15303 1/20 0.56
FLT1 P17948 2/20 0.46

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
SCHEMBL6236342 1.00 EGFR (0.56) EGFRERBB2ERBB4FLT1
SCHEMBL6236025 0.89 EGFR (0.57) EGFRERBB2ERBB4
SCHEMBL6236020 0.89 EGFR (0.57) EGFRERBB2ERBB4
SCHEMBL6234355 0.86 EGFR (0.56) EGFRERBB2ERBB4FLT1
SCHEMBL6234351 0.86 EGFR (0.56) EGFRERBB2ERBB4FLT1
SCHEMBL6236612 0.86 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL6236610 0.86 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL6236350 0.80 FLT1 (0.49) EGFRERBB2FLT1
SCHEMBL6233381 0.76 EGFR (0.55) EGFRERBB2ERBB4
SCHEMBL6233379 0.76 EGFR (0.55) EGFRERBB2ERBB4

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