SCHEMBL621734

SCHEMBL621734

ClN1C=CCc2cc(I)ccc21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.31
PNMT P11086 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31

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
SCHEMBL8766370 0.61 PNMT (0.35) ADRA2APNMTADRA2BADRA2C
SCHEMBL5420448 0.60 PDE3B (0.39) ADRA2APNMTADRA2BADRA2C
SCHEMBL13960939 0.58 MAPT (0.45) ADRA2APNMTADRA2BADRA2C
SCHEMBL8765334 0.57 CA1 (0.36) ADRA2APNMTADRA2BADRA2C
SCHEMBL20180555 0.57 KDM4E (0.64) ADRA2C
SCHEMBL5213966 0.56 NOTUM (0.35)
SCHEMBL18454733 0.56
SCHEMBL25044261 0.56 ALDH1A1 (0.58)
SCHEMBL16506973 0.56 TRIM24 (0.49)
SCHEMBL13960940 0.55 NOTUM (0.47) ADRA2APNMTADRA2BADRA2C

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-2603218-A1 QUINOLYL AMINES AS KINASE INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2013-06-19 EP disclosed
WO-2012021580-A1 QUINOLYL AMINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2012-02-16 WO disclosed