SCHEMBL20537367

SCHEMBL20537367

CN(C)C#Cc1ccc(Cl)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 2/20 0.36
SLC6A2 P23975 1/20 0.36
KCNH2 Q12809 4/20 0.33
HTR2A P28223 2/20 0.33
RAPGEF4 Q8WZA2 1/20 0.33
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
GRM5 P41594 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
SCHEMBL8771367 0.79 CYP1A1 (0.39) SLC6A4SLC6A3SLC6A2KCNH2HTR2A
SCHEMBL19808998 0.75 FFAR1 (0.36) SLC6A3RAPGEF4FFAR1FFAR4GRM5
SCHEMBL19781334 0.74 RAPGEF4 (0.33) SLC6A4KCNH2HTR2ARAPGEF4FFAR1
SCHEMBL9472942 0.71 CYP2A6 (0.41) KCNH2FFAR1FFAR4
SCHEMBL19781335 0.70 FFAR1 (0.31) RAPGEF4FFAR1FFAR4GRM5
SCHEMBL30480935 0.70 VCAM1 (0.48) SLC6A4KCNH2HTR2A
SCHEMBL234592 0.70 VCAM1 (0.48) SLC6A4KCNH2HTR2A
SCHEMBL16955681 0.70 RAPGEF4 (0.34) SLC6A4SLC6A3SLC6A2RAPGEF4
SCHEMBL2552386 0.70 SLC2A1 (0.35) SLC6A4SLC6A3SLC6A2RAPGEF4FFAR1
SCHEMBL15094429 0.70 EGFR (0.39) SLC6A4SLC6A3SLC6A2RAPGEF4

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
EP-3089788-B1 SERINE/THREONINE KINASE INHIBITORS GENENTECH INC (US) 2018-10-24 EP claimed