SCHEMBL15533377

SCHEMBL15533377

COCOc1cccc(CO)c1CC(C)(C)CO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.34
EGFR P00533 2/20 0.32
NPC1 O15118 1/20 0.31
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
ABL1 P00519 1/20 0.30
NTRK1 P04629 1/20 0.30
FYN P06241 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
IGF1R P08069 1/20 0.30
MET P08581 1/20 0.30
PDGFRB P09619 1/20 0.30
PIM1 P11309 1/20 0.30
FGFR1 P11362 1/20 0.30
PRKACA P17612 1/20 0.30
LTK P29376 1/20 0.30
GRK5 P34947 1/20 0.30

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
SCHEMBL6283334 0.83 PTPN1 (0.40) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL10434845 0.80 PTPN1 (0.38) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL9901198 0.79 PTPN1 (0.37) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL3163121 0.78 PTPN1 (0.36) PTPN1EGFRNPC1CHEK1AURKA
SCHEMBL9901394 0.77 PTPN1 (0.38) PTPN1EGFR
SCHEMBL2048597 0.74 EGFR (0.41) PTPN1EGFR
SCHEMBL12855014 0.74 PTPN1 (0.41) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL3903483 0.73 PDCD1 (0.44) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL30566658 0.73 PTPN1 (0.46) PTPN1EGFRCHEK1AURKADAPK3
SCHEMBL1135286 0.72 PTPN1 (0.39) PTPN1EGFRCHEK1AURKADAPK3

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-2852589-A1 TRIAZOLES AS KV3 INHIBITORS Autifony Therapeutics Limited (GB) 2015-04-01 EP disclosed
WO-2013175215-A1 TRIAZOLES AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2013-11-28 WO disclosed