SCHEMBL21028559

SCHEMBL21028559

Cc1cccc2nc(C(C)C)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.59
PIK3CG P48736 5/20 0.52
PIK3CB P42338 3/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
PIK3CA P42336 3/20 0.50
PIK3R1 P27986 7/20 0.49
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48

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
SCHEMBL15812927 0.89 PIK3CD (0.60) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL15812924 0.89 PIK3CD (0.60) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL355538 0.89 PIK3CD (0.57) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL13161373 0.86 PIK3CD (0.60) PIK3CDPIK3CGPIK3CBSMN1; SMN2PIK3CA
SCHEMBL20061285 0.85 PIK3CG (0.57) PIK3CDPIK3CGPIK3CBCYP1A2CYP2C9
SCHEMBL20061283 0.85 PIK3CD (0.63) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL15813050 0.85 PIK3CD (0.58) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL16583284 0.83 PIK3CD (0.54) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL356484 0.83 PIK3CD (0.54) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1
SCHEMBL10163694 0.83 PIK3CD (0.52) PIK3CDPIK3CGPIK3CBPIK3CAPIK3R1

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-3046563-B1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AS PI3-KINASE INHIBITORS CALITOR SCIENCES LLC (US) 2019-05-29 EP disclosed