SCHEMBL30362017

SCHEMBL30362017

CN1CCN(c2ccc(-c3cc4c(B5OC(C)(C)C(C)(C)O5)ccnc4n3S(=O)(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.39
DRD2 P14416 3/20 0.38
DRD3 P35462 2/20 0.38
HTR1A P08908 1/20 0.38
FGFR4 P22455 1/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
HTR2C P28335 1/20 0.36
HTR7 P34969 1/20 0.36
HTR2B P41595 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
ALK Q9UM73 5/20 0.36
ACVR1 Q04771 2/20 0.36
FYN P06241 1/20 0.35
PIM1 P11309 2/20 0.35
CDC7 O00311 1/20 0.35
CDK9 P50750 1/20 0.35

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
SCHEMBL26104341 1.00 HTR6 (0.39) HTR6DRD2DRD3HTR1AFGFR4
SCHEMBL17289979 0.92 PIK3CA (0.39) NPC1ALDH1A1RAB9AACVR1
SCHEMBL26103824 0.87 PTGDR2 (0.38) HTR6ALDH1A1
SCHEMBL30361980 0.87 PTGDR2 (0.38) HTR6ALDH1A1
SCHEMBL4316369 0.84 PTGDR2 (0.34) ALDH1A1
SCHEMBL17289752 0.82 HTR6 (0.44) HTR6DRD2DRD3HTR1AFGFR4
SCHEMBL4316484 0.81 PTGDR2 (0.34) HTR6
SCHEMBL20765228 0.81 HTR6 (0.43) HTR6NPC1ALDH1A1RAB9A
SCHEMBL2986594 0.79 PTGDR2 (0.42) HTR6
SCHEMBL4602394 0.78 PTGDR2 (0.39) HTR6ALDH1A1

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-2023076849-A1 INHIBITORS OF EPIDERMAL GROWTH FACTOR RECEPTOR ORIC PHARMACEUTICALS, INC. (US) 2023-05-04 WO disclosed