SCHEMBL21170669

SCHEMBL21170669

C(#Cc1cc2cncnc2[nH]1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.47
SNCA P37840 7/20 0.47
MAPT P10636 5/20 0.47
GRM4 Q14833 2/20 0.42
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
NOS1 P29475 1/20 0.36
CDK2 P24941 1/20 0.36
APP P05067 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
SCHEMBL20004447 0.78 SNCA (0.70) GRM5SNCAMAPTGRM4CDK2
SCHEMBL14629344 0.74 CDK5 (0.35)
SCHEMBL21170732 0.73 PRMT5 (0.46) GRM5SNCAMAPTGRM4APP
SCHEMBL180217 0.71 CCNB2 (0.50)
SCHEMBL20004279 0.70 SNCA (0.68) SNCAMAPTAPP
SCHEMBL5353844 0.68 APP (0.46) SNCAMAPTAPP
SCHEMBL20004547 0.68 MAPT (0.58) SNCAMAPT
SCHEMBL20005009 0.67 SNCA (0.64) SNCAMAPT
SCHEMBL22537701 0.67 SNCA (0.56) GRM5SNCAMAPT
SCHEMBL20005138 0.67 SNCA (0.72) SNCAMAPT

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