SCHEMBL9953145

SCHEMBL9953145

Cc1c(Cl)cc(CCN)c(-c2cc(F)cc(F)c2)c1N1CCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.34
LMNA P02545 2/20 0.34
FFAR1 O14842 7/20 0.33
FFAR4 Q5NUL3 5/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
MAPK1 P28482 1/20 0.33
TSHR P16473 1/20 0.33
P2RX7 Q99572 2/20 0.32
F10 P00742 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
MGAT2 Q10469 1/20 0.31
TP53 P04637 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
SCHEMBL9952898 0.90 CYP11B1 (0.37) L3MBTL1LMNAFFAR1FFAR4CYP11B1
SCHEMBL9928869 0.80 L3MBTL1 (0.37) L3MBTL1LMNAFFAR1FFAR4HSD17B10
SCHEMBL9928954 0.78 MEN1 (0.36) L3MBTL1LMNAHSD17B10CYP11B1CYP11B2
SCHEMBL9952988 0.78 L3MBTL1 (0.37) L3MBTL1LMNAFFAR1FFAR4HSD17B10
SCHEMBL9952993 0.78 FFAR1 (0.36) FFAR1FFAR4HSD17B10MAPK1
SCHEMBL9953061 0.70 PIK3CD (0.39) FFAR1FFAR4
SCHEMBL9929578 0.70 CYP11B1 (0.37) L3MBTL1LMNAFFAR1FFAR4HSD17B10
SCHEMBL9953131 0.70 TAAR1 (0.31)
SCHEMBL18927064 0.69 CYP11B1 (0.39) L3MBTL1LMNACYP11B1CYP11B2KMT2A
SCHEMBL9929279 0.69 TP53 (0.42) L3MBTL1CYP11B1CYP11B2KMT2AMEN1

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-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