SCHEMBL29498246

SCHEMBL29498246

CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4ccccc4Cl)c(=O)n(C)c3n2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 10/20 1.00
NOD2 Q9HC29 10/20 1.00
ACVR1 Q04771 7/20 1.00
FGFR1 P11362 6/20 0.84
WEE1 P30291 5/20 0.84
SRC P12931 4/20 0.84
FGFR2 P21802 2/20 0.84
FGFR4 P22455 2/20 0.84
FGFR3 P22607 2/20 0.84
PDGFRB P09619 2/20 0.84
PDGFRA P16234 2/20 0.84
CHEK1 O14757 1/20 0.84
JAK2 O60674 1/20 0.84
PRKD3 O94806 1/20 0.84
MAP4K4 O95819 1/20 0.84
PAK4 O96013 1/20 0.84
ABL1 P00519 1/20 0.84
EGFR P00533 1/20 0.84
NTRK1 P04629 1/20 0.84
LCK P06239 1/20 0.84

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
SCHEMBL20563458 1.00 RIPK2 (1.00) RIPK2NOD2ACVR1FGFR1WEE1
Pd-0166285 SCHEMBL30250248 0.92 FGFR1 (1.00) RIPK2NOD2ACVR1FGFR1WEE1
Pd-0166285 SCHEMBL133914 0.92 FGFR1 (1.00) RIPK2NOD2ACVR1FGFR1WEE1
Pd-0166285 SCHEMBL30276696 0.91 FGFR1 (0.98) RIPK2NOD2ACVR1FGFR1WEE1
SCHEMBL20564619 0.91 RIPK2 (1.00) RIPK2NOD2ACVR1FGFR1WEE1
Pd-0166285 SCHEMBL15106017 0.91 FGFR1 (0.98) RIPK2NOD2ACVR1FGFR1WEE1
SCHEMBL29498180 0.91 RIPK2 (1.00) RIPK2NOD2ACVR1FGFR1WEE1
Pd-0166285 SCHEMBL29658286 0.90 FGFR1 (0.97) RIPK2NOD2ACVR1FGFR1WEE1
Pd-0166285 SCHEMBL15923205 0.90 FGFR1 (0.97) RIPK2NOD2ACVR1FGFR1WEE1
SCHEMBL20563994 0.89 RIPK2 (1.00) RIPK2NOD2ACVR1FGFR1WEE1

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-3968991-A1 PROTEIN KINASE INHIBITORS AND USES THEREOF FOR THE TREATMENT OF DISEASES AND CONDITIONS University of Houston System (US) 2022-03-23 EP disclosed