Sugi Predict

Sugi Predict / Compounds / SCHEMBL23217129

SCHEMBL23217129

SCHEMBL23217129

CC(C)Oc1cc(Nc2nc(NC(C)c3ccc(F)cc3)nc(NC(CO)CO)c2Cl)n[nH]1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 12/20 0.74
▸ GRK6 P43250 8/20 0.50
▸ AURKA O14965 2/20 0.48

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
SCHEMBL30009963 1.00 NTRK1 (0.74) NTRK1GRK6AURKA
SCHEMBL3340111 1.00 NTRK1 (0.74) NTRK1GRK6AURKA
SCHEMBL4068254 0.93 NTRK1 (0.64) NTRK1GRK6AURKA
SCHEMBL588554 0.88 NTRK1 (0.60) NTRK1GRK6AURKA
SCHEMBL588553 0.88 NTRK1 (0.60) NTRK1GRK6AURKA
SCHEMBL4156670 0.83 NTRK1 (1.00) NTRK1
SCHEMBL23808896 0.81 NTRK1 (0.75) NTRK1GRK6AURKA
SCHEMBL3338554 0.78 NTRK1 (0.55) NTRK1GRK6AURKA
SCHEMBL589107 0.77 NTRK1 (0.77) NTRK1GRK6AURKA
SCHEMBL589106 0.77 NTRK1 (0.77) NTRK1GRK6AURKA

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
US-20240158756-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2024-05-16 — — US disclosed
WO-2021072238-A1 FEEDER-BASED AND FEEDER-FREE STEM CELL CULTURE SYSTEMS FOR STRATIFIED EPITHELIAL STEM CELLS, AND USES RELATED THERETO UNIVERSITY OF HOUSTON SYSTEM (US) 2021-04-15 — — WO disclosed