SCHEMBL20909775

SCHEMBL20909775

C=CCN1CCc2cc(C)ccc2C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
JAK2 O60674 1/20 0.43
FLT3 P36888 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
DRD1 P21728 1/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
PRMT5 O14744 1/20 0.38

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
SCHEMBL20891206 0.94 ADRA1D (0.42) PLAUJAK2FLT3ADRA1DADRA1A
SCHEMBL1708015 0.87 ADRA1D (0.51) PLAUADRA1DADRA1AADRA1BADRA2A
SCHEMBL20884109 0.82 PLAU (0.43) PLAUJAK2FLT3ADRA1DADRA1A
SCHEMBL6961088 0.81 PLAU (0.47) PLAUJAK2FLT3ADRA1DADRA1A
SCHEMBL10673802 0.81 DRD1 (0.53) PLAUADRA2AADRA2BADRA2CDRD1
SCHEMBL20883596 0.81 JAK2 (0.43) PLAUJAK2FLT3ADRA1DADRA1A
SCHEMBL6369707 0.80 HRH3 (0.51) MEN1KMT2AGAAATMPOLB
SCHEMBL3957205 0.78 ADRA1D (0.62) ADRA1DADRA1AADRA1BADRA2AADRA2B
SCHEMBL13255041 0.78 DRD2 (0.54) MEN1KMT2AGAAATMPOLB
Bromide SCHEMBL6521671 0.77 ADRA1D (0.61) ADRA1DADRA1AADRA1BADRA2AADRA2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022236253-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC. (US) 2022-11-10 WO disclosed
WO-2019074979-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GIRAFPHARMA, LLC (US) 2019-04-18 WO disclosed