SCHEMBL21185262

SCHEMBL21185262

CCc1nc2cccc(C#CCO)c2c(=O)n1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.49
PIK3CG P48736 10/20 0.49
PIK3R1 P27986 5/20 0.49
PIK3CA P42336 5/20 0.42
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PIK3R2 O00459 7/20 0.37
KCNH2 Q12809 1/20 0.35
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
PDE10A Q9Y233 1/20 0.34
PIK3CB P42338 1/20 0.34

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
SCHEMBL21185257 0.91 PIK3CD (0.48) PIK3CDPIK3CGPIK3R1PIK3CACRHBP
SCHEMBL21185379 0.87 CRHBP (0.42) PIK3CDPIK3CGPIK3R1PIK3CACRHBP
SCHEMBL21185376 0.86 CRHBP (0.43) PIK3CDPIK3CGPIK3R1PIK3CACRHBP
SCHEMBL21174761 0.83 PIK3CD (0.56) PIK3CDPIK3CGPIK3R1PIK3CAPIK3R2
SCHEMBL21174765 0.83 PIK3CD (0.56) PIK3CDPIK3CGPIK3R1PIK3CAPIK3R2
SCHEMBL21178453 0.83 PIK3CD (0.45) PIK3CDPIK3CGPIK3R1PIK3CAPIK3R2
SCHEMBL21174812 0.83 PIK3CD (0.53) PIK3CDPIK3CGPIK3R1PIK3CAPIK3R2
SCHEMBL21174810 0.83 PIK3CD (0.53) PIK3CDPIK3CGPIK3R1PIK3CAPIK3R2
SCHEMBL16597163 0.82 CRHBP (0.45) PIK3CDPIK3CGCRHBPCRHR2PIK3R2
SCHEMBL21178494 0.81 PIK3CD (0.44) PIK3CDPIK3CGPIK3R1PIK3CAPIK3R2

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-2019143874-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-07-25 WO disclosed