SCHEMBL9952993

SCHEMBL9952993

Cc1c(Cl)cc(CCNc2ncnc3[nH]cnc23)c(-c2cc(F)cc(F)c2)c1N1CCCC1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.36
FFAR4 Q5NUL3 16/20 0.36
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
GFER P55789 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9953061 0.93 PIK3CD (0.39) FFAR1FFAR4
SCHEMBL9928879 0.82 PIK3CD (0.42)
SCHEMBL9951999 0.79 RPS6KB1 (0.33) HSD17B10
SCHEMBL9953145 0.78 L3MBTL1 (0.34) FFAR1FFAR4HSD17B10MAPK1
Trifluoroacetic Acid SCHEMBL9929228 0.78 PIK3CD (0.39)
SCHEMBL9953808 0.77 PIK3CD (0.38) ALDH1A1HSD17B10MAPTMAPK1
SCHEMBL9954211 0.75 LMNA (0.39) FFAR1KDM4EALDH1A1HSD17B10MAPK1
SCHEMBL9929197 0.75 PIK3CD (0.52)
SCHEMBL18935601 0.73 PIK3CD (0.42)
SCHEMBL9953815 0.72 PIK3CD (0.35) KDM4EALDH1A1HSD17B10MAPTMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP claimed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO claimed
EP-2655374-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS Incyte Corporation (US) 2013-10-30 EP disclosed
WO-2012087881-A1 N-(1-(SUBSTITUTED-PHENYL)ETHYL)-9H-PURIN-6-AMINES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2012-06-28 WO disclosed