SCHEMBL20070540

SCHEMBL20070540

SN1CC2CC(C1)N2Cc1ccc(Cl)cn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.42
PDE2A O00408 1/20 0.34
MDM2 Q00987 2/20 0.33
GRM2 Q14416 1/20 0.33
GRM3 Q14832 1/20 0.33
TRPA1 O75762 1/20 0.33
TRPC6 Q9Y210 1/20 0.32
HTR1A P08908 1/20 0.32
DRD4 P21917 1/20 0.32
HTR2A P28223 1/20 0.32
SLC6A4 P31645 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL20154576 0.85 RET (0.42) RETPDE2AMDM2HTR1ADRD4
SCHEMBL21158901 0.82 RET (0.39) RETPDE2AMDM2TRPA1TRPC6
SCHEMBL20069645 0.82 RET (0.42) RETGRM2TRPC6HTR2A
SCHEMBL20149632 0.82 RET (0.40) RETPDE2AMDM2TRPA1CCNC
SCHEMBL20148649 0.82 RET (0.40) RETPDE2AMDM2TRPA1
SCHEMBL24135071 0.75 JAK2 (0.37) RETPDE2AMDM2GRM2GRM3
SCHEMBL22812225 0.72 ALDH1A1 (0.40) RETPDE2ADRD4DRD3
SCHEMBL22812017 0.68 RET (0.44) RETMDM2TRPC6HTR2A
SCHEMBL20154572 0.66 RET (0.47) RET
SCHEMBL21158902 0.66 MAPT (0.41) RETGRM2GRIN1GRIN2B

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
WO-2018071447-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ANDREWS STEVEN W (US) 2018-04-19 WO disclosed