SCHEMBL5017348

SCHEMBL5017348

COc1cc(-c2csc3c(C=CC(N)=O)cnc(N)c23)ccc1NC(=O)c1cc2ccccc2n1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 20/20 1.00
HCK P08631 13/20 1.00
FYN P06241 5/20 0.79
KDR P35968 2/20 0.79
CHEK1 O14757 1/20 0.79
AURKA O14965 1/20 0.79
JAK2 O60674 1/20 0.79
PRKD3 O94806 1/20 0.79
MAP4K4 O95819 1/20 0.79
PAK4 O96013 1/20 0.79
ABL1 P00519 1/20 0.79
NTRK1 P04629 1/20 0.79
CSF1R P07333 1/20 0.79
RET P07949 1/20 0.79
MET P08581 1/20 0.79
PDGFRB P09619 1/20 0.79
PIM1 P11309 1/20 0.79
FGFR1 P11362 1/20 0.79
PDGFRA P16234 1/20 0.79
PRKACA P17612 1/20 0.79

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
SCHEMBL5017347 1.00 LCK (1.00) LCKHCKFYNKDRCHEK1
SCHEMBL3529598 0.94 LCK (0.89) LCKHCKFYNKDRCHEK1
SCHEMBL3529602 0.94 LCK (0.89) LCKHCKFYNKDRCHEK1
SCHEMBL5024031 0.92 LCK (0.86) LCKHCKFYNKDRCHEK1
SCHEMBL5024034 0.92 LCK (0.86) LCKHCKFYNKDRCHEK1
SCHEMBL3532681 0.91 LCK (0.84) LCKHCKFYNKDRCHEK1
SCHEMBL3530477 0.91 LCK (0.84) LCKHCKFYNKDRCHEK1
SCHEMBL3525975 0.91 LCK (0.84) LCKHCKFYNKDRCHEK1
SCHEMBL5016875 0.91 LCK (0.84) LCKHCKFYNKDRCHEK1
SCHEMBL5016874 0.91 LCK (0.83) LCKHCKFYNKDRCHEK1

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-1648905-B1 THIENOPYRIDINE AND FUROPYRIDINE KINASE INHIBITORS ABBOTT LAB (US) 2008-12-31 EP disclosed