SCHEMBL21135838

SCHEMBL21135838

C/C=N/Nc1nc(N2CCOCC2)c2cc(-c3ccccn3)cn2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.42
NPSR1 Q6W5P4 1/20 0.40
METAP1 P53582 2/20 0.39
MAPK1 P28482 2/20 0.39
ALOX15 P16050 1/20 0.39
PIKFYVE Q9Y2I7 4/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM5A P29375 1/20 0.38
GAA P10253 1/20 0.38
MTOR P42345 3/20 0.37
PIK3CA P42336 3/20 0.37
PIK3CB P42338 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
PIK3CD O00329 2/20 0.37
SCN9A Q15858 1/20 0.37
AR P10275 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL21055052 0.87 PIKFYVE (0.56) MAPK1PIKFYVEMEN1KMT2AGAA
SCHEMBL30312554 0.87 PIKFYVE (0.56) MAPK1PIKFYVEMEN1KMT2AGAA
SCHEMBL21135830 0.83 JAK3 (0.41) PIKFYVEKDM5AMTORPIK3CAPIK3CB
SCHEMBL21135843 0.79 PIKFYVE (0.43) NPSR1MAPK1PIKFYVEMEN1KMT2A
SCHEMBL21135844 0.76 PIK3CA (0.42) PIKFYVEMEN1KMT2AGAAMTOR
SCHEMBL21053972 0.74 PIKFYVE (0.64) PIKFYVEGAAMTORPIK3CAPIK3CB
SCHEMBL30312484 0.74 PIKFYVE (0.64) PIKFYVEGAAMTORPIK3CAPIK3CB
SCHEMBL21135798 0.74 PIK3CA (0.41) MTORPIK3CAPIK3CBALDH1A1PIK3CD
SCHEMBL21135799 0.74 PIK3CA (0.42) MAPK1ALOX15MTORPIK3CAPIK3CB
SCHEMBL21054603 0.73 PIKFYVE (0.55) PIKFYVEGAAMTORPIK3CAPIK3CB

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
WO-2019113523-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF BAJJI ASHOK (US) 2019-06-13 WO disclosed