SCHEMBL2599324

SCHEMBL2599324

COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCC(O)CCl)c2n1

nearest known ligand 0.88

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.88
JAK2 O60674 19/20 0.88
JAK1 P23458 1/20 0.70

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
SCHEMBL2694216 1.00 NTRK1 (0.88) NTRK1JAK2JAK1
SCHEMBL2694613 1.00 NTRK1 (0.88) NTRK1JAK2JAK1
SCHEMBL2694232 1.00 NTRK1 (0.88) NTRK1JAK2JAK1
SCHEMBL2599295 0.94 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2693527 0.94 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2695120 0.94 NTRK1 (1.00) NTRK1JAK2
SCHEMBL2599302 0.94 NTRK1 (1.00) NTRK1JAK2
SCHEMBL4298146 0.93 NTRK1 (0.85) NTRK1JAK2JAK1
SCHEMBL19560153 0.93 NTRK1 (0.88) NTRK1JAK2JAK1
SCHEMBL2694836 0.92 NTRK1 (1.00) NTRK1JAK2JAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2571883-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146336-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-11-24 WO disclosed