SCHEMBL30127239

SCHEMBL30127239

Nc1ccc(OC(F)(F)F)c(Cl)c1F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.36
PDE2A O00408 1/20 0.34
EPHX2 P34913 1/20 0.33
SLC1A5 Q15758 1/20 0.31
SCN9A Q15858 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
SCHEMBL8074941 0.84 PDE2A (0.33) MPLPDE2AEPHX2SLC1A5
SCHEMBL9404019 0.82 MPL (0.41) MPLPDE2AEPHX2
SCHEMBL19485985 0.79 ALDH1A1 (0.35) PDE2ASLC1A5
SCHEMBL16798567 0.79 PDE2A (0.30) PDE2ASLC1A5
SCHEMBL28056270 0.79 PDE2A (0.33) PDE2AEPHX2SLC1A5
SCHEMBL10710521 0.79 EPHX2 (0.37) PDE2AEPHX2SLC1A5
SCHEMBL14743948 0.79 MPL (0.42) MPLSCN9A
SCHEMBL24572815 0.76 IDO1 (0.44)
SCHEMBL30127212 0.76 IDO1 (0.44)
SCHEMBL34473075 0.74 HTR2C (0.35)

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-2022266426-A1 6-(HETEROCYCLOALKYL-OXY)-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed
WO-2022266458-A1 6-HETEROCYCLOALKYL-QUINAZOLINE DERIVATIVES AND USES THEREOF BLACK DIAMOND THERAPEUTICS, INC. (US) 2022-12-22 WO disclosed