SCHEMBL2718705

SCHEMBL2718705

CC(C)(C)[S+]([O-])NCCc1ccc2ccccc2c1-c1cc(F)cc(F)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.32
SLC2A1 P11166 1/20 0.31
MTNR1A P48039 1/20 0.30
MTNR1B P49286 1/20 0.30
CTDSP1 Q9GZU7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL2721580 0.83 PIK3CD (0.33) TDP1
SCHEMBL2718141 0.78 LMNA (0.36) HPGDSLC2A1MTNR1A
SCHEMBL2546674 0.76 PTPN1 (0.37)
SCHEMBL2717827 0.73 TAAR1 (0.41) CTDSP1TDP1
SCHEMBL21063772 0.68 RIPK1 (0.37)
SCHEMBL21815093 0.66 ANO1 (0.36) MTNR1AMTNR1B
SCHEMBL2721106 0.66 RPS27 (0.32)
SCHEMBL28161575 0.66 ALOX5 (0.50) HPGDCTDSP1TDP1
SCHEMBL14134412 0.66 CYP2A6 (0.47) HPGDCTDSP1TDP1
SCHEMBL17981892 0.65 LOXL2 (0.44) MTNR1AMTNR1B

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-2635565-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS Amgen Inc. (US) 2013-09-11 EP disclosed
WO-2012061696-A1 5 -CYANO-4, 6 -DIAMINOPYRIMIDINE OR 6 -AMINOPURINE DERIVATIVES AS PI3K- DELTA INHIBITORS AMGEN INC. (US) 2012-05-10 WO disclosed