SCHEMBL6235809

SCHEMBL6235809

O=S(=O)(Nc1nccs1)c1ccc(Nc2ncnc3cc(C#C[C@H]4CCCN4)sc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.50
ERBB2 P04626 5/20 0.50
ERBB4 Q15303 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ILK Q13418 1/20 0.42
SCN9A Q15858 1/20 0.41
KDR P35968 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP2C9 P11712 1/20 0.40
EDNRA P25101 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
PRMT6 Q96LA8 1/20 0.40

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
SCHEMBL6235826 1.00 EGFR (0.50) EGFRERBB2ERBB4SMN1; SMN2TSHR
SCHEMBL6234351 0.83 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL6234355 0.83 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL6235814 0.82 EGFR (0.49) EGFRSMN1; SMN2TSHRMAPK1ILK
SCHEMBL6236344 0.76 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL6236342 0.76 EGFR (0.56) EGFRERBB2ERBB4
SCHEMBL6237140 0.76 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL6237137 0.76 EGFR (0.58) EGFRERBB2ERBB4
SCHEMBL6236610 0.76 EGFR (0.64) EGFRERBB2ERBB4
SCHEMBL6236612 0.76 EGFR (0.64) 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