SCHEMBL788381

SCHEMBL788381

O=C(NCC(F)(F)F)c1nc2cncnc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.39
ULK1 O75385 14/20 0.38
L3MBTL1 Q9Y468 1/20 0.35
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL12503869 0.75 HSD17B10 (0.40)
SCHEMBL788917 0.75 PKN1 (0.33)
SCHEMBL31268919 0.75 HSD17B10 (0.40)
SCHEMBL4521136 0.73
SCHEMBL31339136 0.71 CSNK2A1 (0.39)
SCHEMBL17065965 0.70 LOXL2 (0.43) LOXL2ULK1L3MBTL1SCN9ASCN10A
SCHEMBL4650850 0.70 NAMPT (0.43) LOXL2ULK1L3MBTL1KCNH2
SCHEMBL11145156 0.68 EGLN1 (0.38) LOXL2ULK1
SCHEMBL13134193 0.67 EGFR (0.30)
SCHEMBL277594 0.67 EGFR (0.33)

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-2616469-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-07-24 EP disclosed
WO-2012037226-A1 INHIBITORS OF PI3K-DELTA AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-03-22 WO disclosed