SCHEMBL6236609

SCHEMBL6236609

O=C1CC[C@@H](C#Cc2cc3c(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)ncnc3s2)N1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.53
ERBB2 P04626 18/20 0.53
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
LCK P06239 1/20 0.46
CDK1 P06493 1/20 0.46
MET P08581 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
KDR P35968 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 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
SCHEMBL6232961 0.93 ERBB2 (0.51) EGFRERBB2
SCHEMBL6241223 0.90 ERBB2 (0.65) EGFRERBB2
SCHEMBL6233918 0.90 ERBB2 (0.65) EGFRERBB2
SCHEMBL6234701 0.84 ERBB2 (0.67) EGFRERBB2
SCHEMBL6240170 0.83 ERBB2 (0.60) EGFRERBB2
SCHEMBL6235133 0.82 ERBB2 (0.63) EGFRERBB2
SCHEMBL6233914 0.82 ERBB2 (0.63) EGFRERBB2
SCHEMBL6236228 0.81 ERBB2 (0.67) EGFRERBB2
SCHEMBL6237280 0.81 ERBB2 (0.67) EGFRERBB2
SCHEMBL6232567 0.81 ERBB2 (0.67) 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