SCHEMBL21834411

SCHEMBL21834411

C=CC(=O)Nc1ccc(F)c(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 4/20 0.58
EGFR P00533 5/20 0.55
ITK Q08881 2/20 0.55
GRM4 Q14833 2/20 0.54
BTK Q06187 2/20 0.51
JAK3 P52333 1/20 0.51
BRD4 O60885 2/20 0.50
FGFR4 P22455 1/20 0.48
RAB9A P51151 1/20 0.48
F13A1 P00488 1/20 0.47
TGM1 P22735 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL5043916 0.86 TGM2 (0.63) TGM2EGFRITKRAB9AMEN1
SCHEMBL9864914 0.83 TGM2 (0.59) TGM2EGFRITKGRM4BRD4
SCHEMBL1381244 0.83 TGM2 (0.59) TGM2EGFRITKF13A1TGM1
SCHEMBL194721 0.82 KMT2A (0.56) GRM4RAB9AMEN1ALDH1A1KMT2A
SCHEMBL194720 0.82 KMT2A (0.56) GRM4RAB9AMEN1ALDH1A1KMT2A
SCHEMBL23830553 0.82 GRM4 (0.52) GRM4RAB9AMEN1ALDH1A1KMT2A
SCHEMBL29700064 0.82 KMT2A (0.56) GRM4RAB9AMEN1ALDH1A1KMT2A
SCHEMBL30368161 0.81 GRM4 (0.59) GRM4RAB9AMEN1ALDH1A1KMT2A
SCHEMBL7621031 0.80 TGM2 (0.65) TGM2EGFRITKBTKRAB9A
SCHEMBL16523986 0.80 TGM2 (0.59) TGM2EGFRITKBTKF13A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384508-B Tricyclic ASK1 inhibitor and application thereof 山东轩竹医药科技有限公司 2022-08-02 CN disclosed
EP-3883925-A1 CYCLIC UREAS Sironax Ltd (KY) 2021-09-29 EP disclosed
CN-112384508-A Tricyclic ASK1 inhibitor and application thereof 山东轩竹医药科技有限公司 2021-02-19 CN disclosed
WO-2020063727-A1 TRICYCLIC RING ASK1 INHIBITORS AND USE THEREOF 山东轩竹医药科技有限公司 2020-04-02 WO disclosed