SCHEMBL17848142

SCHEMBL17848142

COc1ccc(COc2ccc(-c3cc4[nH]nc(NC(=O)C(F)(F)F)c4c(C(c4ccccc4)(c4ccccc4)c4ccccc4)c3Cc3cc(F)cc(F)c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.40
FFAR1 O14842 3/20 0.36
MAPK1 P28482 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOD2 Q9HC29 1/20 0.35
NTRK1 P04629 3/20 0.34
GPR34 Q9UPC5 2/20 0.34
FLT3 P36888 1/20 0.34
CHUK O15111 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33

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
SCHEMBL17848120 0.84 IKBKE (0.41) GSK3BFFAR1MAPK1MAPTNPSR1
SCHEMBL17848139 0.81 GSK3B (0.47) GSK3BFFAR1MAPK1NTRK1FLT3
SCHEMBL17848094 0.79 NTRK1 (0.39) GSK3BNTRK1CHUKDYRK1A
SCHEMBL17848123 0.73 FFAR1 (0.36) FFAR1MAPTNPSR1GPR34FFAR4
SCHEMBL17848104 0.66 IKBKE (0.43) GSK3BFFAR1MAPK1MAPTNPSR1
SCHEMBL17859118 0.65 FFAR1 (0.39) FFAR1MAPTFFAR4
SCHEMBL3510459 0.63 NTRK1 (0.77) NTRK1
SCHEMBL17859182 0.62 F9 (0.38) FFAR1MAPK1MAPTNPSR1NOD2
SCHEMBL6487527 0.61 GSK3B (0.86) GSK3B
SCHEMBL1461692 0.61 GSK3B (0.84) GSK3B

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
EP-3233840-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES Eudendron S.r.l. (IT) 2017-10-25 EP disclosed
WO-2016096709-A1 HETEROCYCLIC DERIVATIVES MODULATING ACTIVITY OF CERTAIN PROTEIN KINASES EUDENDRON S.R.L. (IT) 2016-06-23 WO disclosed