SCHEMBL26099787

SCHEMBL26099787

O=S(=O)(c1ccccc1)n1ccc2c(C#Cc3ccc(F)cc3)ccnc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.47
HTR6 P50406 12/20 0.39
MET P08581 1/20 0.39
ALDH3A1 P30838 1/20 0.38
PPME1 Q9Y570 1/20 0.38
DRD2 P14416 2/20 0.38
PKM P14618 2/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL16897003 0.79 CYP2C19 (0.55) CYP2C19HTR6METPPME1DRD2
SCHEMBL26104053 0.78 MAPT (0.35) HTR6ALDH3A1PKM
SCHEMBL1683430 0.78 CYP2C19 (0.58) CYP2C19HTR6METDRD2PKM
SCHEMBL28585014 0.75 CYP2C19 (0.58) CYP2C19HTR6METDRD2PKM
SCHEMBL414843 0.72 CYP2C19 (0.58) CYP2C19HTR6METPKML3MBTL1
SCHEMBL13014082 0.72 CYP2C19 (0.58) CYP2C19HTR6METDRD2PKM
SCHEMBL17628860 0.72 CYP2C19 (0.58) CYP2C19HTR6METDRD2PKM
SCHEMBL29959107 0.72 CYP2C19 (0.58) CYP2C19HTR6METPKML3MBTL1
SCHEMBL29941031 0.72 CYP2C19 (0.58) CYP2C19HTR6METDRD2PKM
SCHEMBL1672537 0.72 CYP2C19 (0.58) CYP2C19HTR6METDRD2PKM

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