SCHEMBL25077205

SCHEMBL25077205

COCc1cc(F)cc(C#N)c1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.50
IDO1 P14902 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL20698865 0.86 GRM5 (0.46) GRM5EGLN2
SCHEMBL4694668 0.86 GRM5 (0.46) GRM5EGLN2
SCHEMBL25764618 0.81 GRM5 (0.36) GRM5IDO1
SCHEMBL4798553 0.80 IDO1 (0.58) GRM5IDO1
SCHEMBL13226847 0.79 CYP2A6 (0.48) GRM5
SCHEMBL9948037 0.78 GRM5 (0.41) GRM5IDO1EGLN2
SCHEMBL20698866 0.78 GRM5 (0.41) GRM5IDO1EGLN2
SCHEMBL4651507 0.78 GRM5 (0.41) GRM5EGLN2
SCHEMBL4696796 0.78 GRM5 (0.41) GRM5EGLN2
SCHEMBL4693657 0.78 GRM5 (0.41) GRM5EGLN2

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-2023023527-A1 PHOSPHOLIPID COMPOUNDS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2023-02-23 WO disclosed