SCHEMBL28484261

SCHEMBL28484261

O=C(N(C(=O)C(F)(F)F)c1nc(C2CNCCO2)nc(N2CCC(Oc3ccc(F)cc3)CC2)n1)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.37
LIPC P11150 1/20 0.37
FFAR1 O14842 1/20 0.37
HRH1 P35367 1/20 0.35
KCNH2 Q12809 1/20 0.35
MLNR O43193 2/20 0.35
SCD O00767 1/20 0.35
SCN9A Q15858 1/20 0.34
CTSL P07711 1/20 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
SCHEMBL28478735 0.93 FFAR1 (0.37) LIPGLIPCFFAR1HRH1KCNH2
SCHEMBL28484478 0.92 LIPG (0.35) LIPGLIPCFFAR1HRH1KCNH2
SCHEMBL28478853 0.90 SCD (0.40) HRH1KCNH2SCDSCN9A
SCHEMBL28478976 0.85 HRH1 (0.36) LIPGFFAR1HRH1KCNH2MLNR
SCHEMBL28477484 0.85 SCD (0.35) FFAR1KCNH2SCDSCN9A
SCHEMBL28477481 0.83 SCN9A (0.39) KCNH2SCN9A
SCHEMBL28901684 0.83 SCN9A (0.39) LIPGLIPCKCNH2SCDSCN9A
SCHEMBL28478975 0.83 RBP4 (0.36) FFAR1HRH1KCNH2SCDSCN9A
SCHEMBL28485631 0.83 HRH1 (0.38) FFAR1HRH1KCNH2SCN9ACTSL
SCHEMBL19640426 0.82 FFAR1 (0.44) LIPGLIPCFFAR1SCN9A

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
CN-107428730-B 1,3, 5-triazinyl PI3K inhibitors as anti-cancer agents and methods of making the same 科学与工业研究会 2020-10-16 CN claimed
CN-107428730-B 1,3, 5-triazinyl PI3K inhibitors as anti-cancer agents and methods of making the same 科学与工业研究会 2020-10-16 CN disclosed