SCHEMBL28003702

SCHEMBL28003702

Nc1ncc(Cc2c(F)cccc2F)nc1N

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PPP1CA P62136 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
MPO P05164 1/20 0.38
PKM P14618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
ADORA1 P30542 1/20 0.33
DPP4 P27487 1/20 0.33
USP7 Q93009 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL1367851 0.82 SMN1; SMN2 (0.36) NPC1HTTL3MBTL1SMN1; SMN2PPP1CA
SCHEMBL28003700 0.79 SMN1; SMN2 (0.42) NPC1HTTL3MBTL1SMN1; SMN2PPP1CA
SCHEMBL28047795 0.76 L3MBTL1 (0.43) NPC1L3MBTL1RAB9AMPOTAAR1
SCHEMBL27988286 0.73 MET (0.42) NPC1HTTL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL30800189 0.73 NPC1 (0.37) NPC1HTTL3MBTL1SMN1; SMN2PPP1CA
SCHEMBL21751301 0.73 NPC1 (0.37) NPC1HTTL3MBTL1SMN1; SMN2PPP1CA
SCHEMBL1163489 0.69 MET (0.41) NPC1HTTSMN1; SMN2ALDH1A1
SCHEMBL28206392 0.69 ADORA2A (0.42) NPC1HTTL3MBTL1SMN1; SMN2PPP1CA
SCHEMBL29520054 0.68 CHRNA7 (0.44) ALDH1A1MPOPKM
SCHEMBL5205493 0.67 TAAR1 (0.46) NPC1HTTSMN1; SMN2ALDH1A1MPO

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-104583199-A 2-aminopyrazine derivatives as CSF-1R kinase inhibitors CHROMA THERAPEUTICS LTD 2015-04-29 CN disclosed