SCHEMBL21185368

SCHEMBL21185368

CC#Cc1cccc2nc(CC)n(-c3ccccc3)c(=O)c12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 7/20 0.47
PIK3CG P48736 6/20 0.47
PIK3R1 P27986 5/20 0.47
PIK3CA P42336 5/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PIK3CB P42338 2/20 0.44
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 1/20 0.41
USP2 O75604 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL21185356 0.91 USP2 (0.52) PIK3CDPIK3CGPIK3R1PIK3CASMN1; SMN2
SCHEMBL21185363 0.87 PIK3CD (0.50) PIK3CDPIK3CGPIK3R1PIK3CASMN1; SMN2
SCHEMBL21185366 0.86 PIK3CD (0.48) PIK3CDPIK3CGPIK3R1PIK3CASMN1; SMN2
SCHEMBL20247392 0.86 ALDH1A1 (0.47) PIK3CDPIK3CGPIK3R1SMN1; SMN2ALDH1A1
SCHEMBL21185241 0.85 PIK3CD (0.50) PIK3CDPIK3CGPIK3R1PIK3CASMN1; SMN2
SCHEMBL19863998 0.83 PIK3CD (0.50) PIK3CDPIK3CGPIK3R1PIK3CASMN1; SMN2
SCHEMBL24731225 0.82 PIK3CD (0.51) PIK3CDPIK3CGPIK3R1PIK3CASMN1; SMN2
SCHEMBL19135928 0.82 PIK3CD (0.39) PIK3CDPIK3CGPIK3R1PIK3CAALDH1A1
SCHEMBL20404396 0.82 PIK3CD (0.57) PIK3CDPIK3CGPIK3R1SMN1; SMN2ALDH1A1
SCHEMBL19864004 0.82 PIK3CD (0.50) PIK3CDPIK3CGPIK3R1PIK3CAPIK3CB

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