SCHEMBL28053689

SCHEMBL28053689

NC(=O)c1cnc(C2(C(F)(F)F)CC2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.43
KMT2A Q03164 1/20 0.42
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
ASPH Q12797 1/20 0.35
BACE1 P56817 2/20 0.32
KIT P10721 2/20 0.32
FLT3 P36888 2/20 0.32
PIK3CA P42336 1/20 0.31
GSK3B P49841 1/20 0.31
PDK2 Q15119 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
SCHEMBL28053688 0.76 KMT2A (0.53) SIRT6KMT2ABACE1KITFLT3
SCHEMBL29178512 0.74 PIM1 (0.38) KMT2ATSHRPDK2
SCHEMBL32663018 0.73 BTK (0.36) BACE1PIK3CA
SCHEMBL14755714 0.72 SIRT6 (0.45) SIRT6KMT2AADORA3TSHRMC4R
SCHEMBL2635320 0.72 SIRT6 (0.73) SIRT6KMT2AADORA3TSHRMC4R
SCHEMBL30908333 0.71 P4HA1 (0.46)
SCHEMBL29990008 0.71 P4HA1 (0.46)
SCHEMBL25324096 0.70 TRPA1 (0.33)
SCHEMBL31365783 0.70 TRPA1 (0.33)
SCHEMBL30567607 0.70 GABRP (0.40) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103797010-B As the azetidinyl phenyl of JAK inhibitor, pyridyl or pyrazinyl carboxamides derivatives INCYTE HOLDINGS CORP. (US) 2016-02-24 CN disclosed