SCHEMBL21170735

SCHEMBL21170735

Nc1ncnc2[nH]c(C#Cc3cccs3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADK P55263 4/20 0.46
MAP4K4 O95819 5/20 0.36
RET P07949 3/20 0.36
LRRK2 Q5S007 2/20 0.36
CHEK1 O14757 1/20 0.36
AURKA O14965 1/20 0.36
DAPK3 O43293 1/20 0.36
JAK2 O60674 1/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
CSF1R P07333 1/20 0.36
IGF1R P08069 1/20 0.36
MET P08581 1/20 0.36
PDGFRB P09619 1/20 0.36
PIM1 P11309 1/20 0.36
FGFR1 P11362 1/20 0.36
PRKACA P17612 1/20 0.36
LTK P29376 1/20 0.36

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
SCHEMBL21170732 0.77 PRMT5 (0.46) ADKMAP4K4RETABL1EGFR
SCHEMBL21170661 0.76 SNCA (0.37) ADKMAP4K4RETLRRK2CHEK1
SCHEMBL21170681 0.71 SNCA (0.39) MAP4K4RETLRRK2CHEK1PRMT5
SCHEMBL31326450 0.68 PRMT5 (0.34) RETLRRK2PRMT5PI4KAPI4K2B
SCHEMBL17283039 0.67 CYP2A6 (0.41) AURKAABL1KDRCDK9DYRK1A
SCHEMBL17283021 0.66 EGLN1 (0.41) MAP4K4EGFRPRMT5GRM5SNCA
SCHEMBL21170731 0.66 EGLN1 (0.41) MAP4K4KDREGFRPRMT5MAPT
SCHEMBL21170747 0.66 PRMT5 (0.37) MAP4K4PRMT5SNCA
SCHEMBL17283041 0.66 RET (0.39) RETLRRK2LCKPRMT5PI4KA
SCHEMBL2491796 0.66 GRM5 (0.55) ADKGRM5MAPT

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-3145512-B1 SUBSTITUTED ETHYNYL HETEROBICYCLIC COMPOUNDS AS TYROSINE KINASE INHIBITORS JIANGSU HENGRUI MEDICINE CO (CN) 2019-07-17 EP disclosed