SCHEMBL21170732

SCHEMBL21170732

Nc1ncnc2[nH]c(C#Cc3ccccc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
ADK P55263 2/20 0.42
SNCA P37840 2/20 0.41
ABL1 P00519 1/20 0.41
RET P07949 1/20 0.41
ADORA2A P29274 2/20 0.40
MAP4K4 O95819 2/20 0.39
PI4KA P42356 2/20 0.39
PI4K2B Q8TCG2 2/20 0.39
PI4K2A Q9BTU6 2/20 0.39
PI4KB Q9UBF8 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
GRM5 P41594 2/20 0.38
MAPT P10636 2/20 0.38
GRM4 Q14833 2/20 0.37
APP P05067 1/20 0.36
EGFR P00533 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
SCHEMBL21170681 0.81 SNCA (0.39) PRMT5SNCARETMAP4K4PI4KA
SCHEMBL21170661 0.80 SNCA (0.37) PRMT5ADKSNCAABL1RET
SCHEMBL17274798 0.78 AHR (0.53) PRMT5RETMAPTEGFR
SCHEMBL21170735 0.77 ADK (0.46) PRMT5ADKSNCAABL1RET
SCHEMBL17283039 0.76 CYP2A6 (0.41) PRMT5SNCAABL1ADORA2API4KB
SCHEMBL17283041 0.75 RET (0.39) PRMT5SNCARETPI4KAPI4K2B
SCHEMBL21170669 0.73 GRM5 (0.47) SNCAGRM5MAPTGRM4APP
SCHEMBL17283021 0.72 EGLN1 (0.41) PRMT5SNCAMAP4K4GRM5MAPT
SCHEMBL21170731 0.72 EGLN1 (0.41) PRMT5MAP4K4MAPTEGFR
SCHEMBL17274658 0.72 PRMT5 (0.49) PRMT5

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