SCHEMBL24676860

SCHEMBL24676860

CC(CO)c1nc(C(F)(F)F)cs1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
TRPV3 Q8NET8 9/20 0.33
CTSK P43235 1/20 0.31
OGA O60502 1/20 0.30
TKT P29401 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
CRHBP P24387 1/20 0.30
CYP2C19 P33261 1/20 0.30
CRHR2 Q13324 1/20 0.30
IDH1 O75874 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL23528164 0.80 FFAR2 (0.38) FFAR2MEN1KMT2ALMNACTSK
SCHEMBL9908284 0.80 CYP3A4 (0.38) FFAR2MEN1KMT2ALMNAOGA
SCHEMBL23528192 0.77 FFAR2 (0.35) FFAR2MEN1KMT2ALMNAOGA
SCHEMBL20738502 0.77 FFAR2 (0.35) FFAR2MEN1KMT2ALMNAOGA
SCHEMBL20113251 0.77 FFAR2 (0.35) FFAR2MEN1KMT2ALMNAOGA
SCHEMBL5662382 0.77 FFAR2 (0.35) FFAR2MEN1KMT2ALMNACTSK
SCHEMBL24676752 0.74 MEN1 (0.32) MEN1KMT2A
SCHEMBL22744496 0.72 FFAR2 (0.33) FFAR2MEN1KMT2ALMNAOGA
SCHEMBL3699295 0.72 LMNA (0.32) FFAR2LMNA
SCHEMBL633601 0.72 POLB (0.40) FFAR2MEN1KMT2ACTSKTSHR

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-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed
WO-2022155941-A1 CDK2 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-07-28 WO disclosed