SCHEMBL2228272

SCHEMBL2228272

CN1C(=O)COc2cnncc21

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.47
CYP11B1 P15538 1/20 0.47
PDE3B Q13370 4/20 0.42
PDE3A Q14432 4/20 0.42
GABRA5 P31644 5/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA1 P14867 1/20 0.37
GPR55 Q9Y2T6 1/20 0.36
GRM4 Q14833 1/20 0.35
SYK P43405 3/20 0.34
PTGER3 P43115 1/20 0.33
HTR1A P08908 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL20527122 0.75 CYP11B2 (0.48) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL18227002 0.75 CYP11B2 (0.48) CYP11B2CYP11B1PDE3BPDE3AGABRA5
Hydrochloric Acid SCHEMBL18226990 0.74 CYP11B2 (0.47) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL474484 0.72 CYP11B1 (0.51) CYP11B2CYP11B1PDE3BPDE3AHTR1A
SCHEMBL9411106 0.70 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL3347754 0.69 PDE3B (0.44) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL280110 0.68 TSHR (0.58) PDE3BPDE3A
SCHEMBL5985192 0.68 CYP11B2 (0.55) CYP11B2CYP11B1PDE3BPDE3AGABRA5
SCHEMBL19153823 0.67 ACVRL1 (0.39)
SCHEMBL12101220 0.67 CYP11B2 (0.53) CYP11B2CYP11B1PDE3BPDE3AGABRA5

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
EP-2519526-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-11-07 EP disclosed
WO-2011080510-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2011-07-07 WO disclosed