SCHEMBL21178494

SCHEMBL21178494

O=C(O)NCCCc1nc2cccc(C#CCO)c2c(=O)n1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.44
PIK3CG P48736 7/20 0.44
PIK3R1 P27986 5/20 0.44
PIK3CA P42336 4/20 0.40
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.35
KCNH2 Q12809 1/20 0.34
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
TP53 P04637 1/20 0.34
PDE10A Q9Y233 1/20 0.33
PIK3R2 O00459 3/20 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
SCHEMBL21178453 0.94 PIK3CD (0.45) PIK3CDPIK3CGPIK3R1PIK3CALMNA
SCHEMBL21178492 0.90 NPSR1 (0.38) PIK3CDPIK3CGPIK3R1PIK3CALMNA
SCHEMBL16584903 0.86 ALDH1A1 (0.39) PIK3CDPIK3CGLMNATSHRNPSR1
SCHEMBL21178215 0.84 PIK3CD (0.37) PIK3CDPIK3CGPIK3R1PIK3CALMNA
SCHEMBL21178476 0.84 POLB (0.38) PIK3CDPIK3CGPIK3R1PIK3CALMNA
SCHEMBL16584875 0.83 SMN1; SMN2 (0.41) PIK3CDLMNATSHRNPSR1POLB
SCHEMBL21185257 0.83 PIK3CD (0.48) PIK3CDPIK3CGPIK3R1PIK3CALMNA
SCHEMBL21178507 0.83 PIK3CD (0.45) PIK3CDPIK3CGPIK3R1PIK3CALMNA
SCHEMBL16584901 0.82 ALDH1A1 (0.39) PIK3CDLMNATSHRNPSR1POLB
SCHEMBL21185262 0.81 PIK3CD (0.49) PIK3CDPIK3CGPIK3R1PIK3CAKCNH2

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-3740468-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Sunshine Lake Pharma Co., Ltd. (CN) 2020-11-25 EP disclosed
WO-2019143874-A1 SUBSTITUTED AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2019-07-25 WO disclosed