SCHEMBL21185376

SCHEMBL21185376

C#Cc1cccc2nc(CC)n(C3CC3)c(=O)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
PIK3CD O00329 9/20 0.37
PIK3CG P48736 8/20 0.37
PIK3R1 P27986 1/20 0.37
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ALDH1A1 P00352 4/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.34
PIK3CA P42336 4/20 0.34
PIK3CB P42338 4/20 0.34
PIK3R2 O00459 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 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
SCHEMBL21185379 0.87 CRHBP (0.42) CRHBPCRHR2PIK3CDPIK3CGPIK3R1
SCHEMBL21185262 0.86 PIK3CD (0.49) CRHBPCRHR2PIK3CDPIK3CGPIK3R1
SCHEMBL16597163 0.84 CRHBP (0.45) CRHBPCRHR2PIK3CDPIK3CGPIK3R2
SCHEMBL21178476 0.80 POLB (0.38) PIK3CDPIK3CGPIK3R1PDE10ALMNA
SCHEMBL21174780 0.79 PIK3CD (0.43) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL21174779 0.79 PIK3CD (0.43) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB
SCHEMBL21185248 0.78 ALDH1A1 (0.44) CRHBPCRHR2PIK3CDPIK3CGPIK3R1
SCHEMBL21185257 0.78 PIK3CD (0.48) CRHBPCRHR2PIK3CDPIK3CGPIK3R1
SCHEMBL30475796 0.77 CRHBP (0.48) CRHBPCRHR2PIK3CDPIK3CGPIK3R1
SCHEMBL22041563 0.77 CRHBP (0.48) CRHBPCRHR2PIK3CDPIK3CGPIK3R1

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