SCHEMBL14175666

SCHEMBL14175666

Bc1cnc2c(ccn2-c2ccc(C(=O)OCC)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.47
LCK P06239 1/20 0.47
KIT P10721 1/20 0.47
HPGD P15428 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 3/20 0.43
HSP90AA1 P07900 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.43
PTPN11 Q06124 1/20 0.41
PTK2 Q05397 1/20 0.41
MEN1 O00255 2/20 0.41

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
SCHEMBL12670698 0.86 LCK (0.47) SRCLCKKITHPGDHTT
SCHEMBL4806005 0.80 SMN1; SMN2 (0.48) SRCLCKKITHPGDHTT
SCHEMBL12670704 0.77 HPGD (0.48) SRCLCKKITHPGDHTT
SCHEMBL24942874 0.77 HPGD (0.53) SRCLCKKITHPGDHTT
SCHEMBL30201491 0.76 LCK (0.40) SRCLCKKITHPGDHTT
SCHEMBL24942723 0.76 LCK (0.40) SRCLCKKITHPGDHTT
SCHEMBL31038250 0.75 MAOB (0.40) SRCLCKKITHPGDHTT
SCHEMBL31038247 0.75 MAOB (0.40) SRCLCKKITHPGDHTT
SCHEMBL24942726 0.71 JMJD6 (0.36) SRCLCKKITHPGDHTT
SCHEMBL30201307 0.71 JMJD6 (0.36) SRCLCKKITHPGDHTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1932833-A1 NITROGENATED HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2008-06-18 EP disclosed