SCHEMBL1825928

SCHEMBL1825928

Nc1nc(Nc2cc(I)ccc2OC2CCOCC2)ncc1Cl

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.45
ALK Q9UM73 3/20 0.40
INSR P06213 1/20 0.39
TBK1 Q9UHD2 7/20 0.39
ATR Q13535 1/20 0.39
SRC P12931 1/20 0.37
CHEK1 O14757 1/20 0.37

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
SCHEMBL1612854 0.84 SRC (0.43) LRRK2ALKINSRATRSRC
SCHEMBL1822070 0.81 LRRK2 (0.48) LRRK2ALKINSR
SCHEMBL12713954 0.78 ERBB2 (0.40) ALKINSRATRSRCCHEK1
SCHEMBL1613257 0.78 ERBB2 (0.40) ALKINSRATRSRCCHEK1
SCHEMBL1613407 0.78 ERBB2 (0.40) ALKINSRATRSRCCHEK1
SCHEMBL1612972 0.78 SRC (0.45) ATRSRCCHEK1
SCHEMBL1612980 0.70 PIK3CA (0.35) LRRK2TBK1ATRSRCCHEK1
SCHEMBL1612455 0.70 ALOX5AP (0.38) TBK1ATR
SCHEMBL1613268 0.69 SYK (0.44) TBK1
SCHEMBL1614063 0.67 LRRK2 (0.40) LRRK2ATRCHEK1

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
EP-2315751-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS Amgen Inc. (US) 2011-05-04 EP disclosed
WO-2009158011-A1 ALKYNYL ALCOHOLS AS KINASE INHIBITORS AMGEN INC. (US) 2009-12-30 WO disclosed