SCHEMBL7705201

SCHEMBL7705201

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

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 0.73
JAK2 O60674 19/20 0.73
JAK1 P23458 1/20 0.65

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
SCHEMBL21510310 0.86 NTRK1 (0.71) NTRK1JAK2JAK1
SCHEMBL28475375 0.86 NTRK1 (0.71) NTRK1JAK2JAK1
SCHEMBL30823617 0.86 NTRK1 (0.71) NTRK1JAK2JAK1
SCHEMBL28475374 0.86 NTRK1 (0.71) NTRK1JAK2JAK1
SCHEMBL30823614 0.86 NTRK1 (0.69) NTRK1JAK2JAK1
SCHEMBL28588061 0.86 NTRK1 (0.69) NTRK1JAK2JAK1
SCHEMBL30512184 0.86 NTRK1 (0.69) NTRK1JAK2JAK1
SCHEMBL30823612 0.86 NTRK1 (0.69) NTRK1JAK2JAK1
SCHEMBL28588062 0.86 NTRK1 (0.69) NTRK1JAK2JAK1
SCHEMBL932499 0.86 NTRK1 (0.84) 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
CN-113004305-B Macrocyclic compounds, their preparation and use 赛诺哈勃药业(成都)有限公司 2024-04-09 CN disclosed
CN-112979654-B Heteroaryl fused ring compounds, preparation method and application thereof 赛诺哈勃药业(成都)有限公司 2024-03-19 CN disclosed
WO-2011146336-A1 MACROCYCLIC COMPOUNDS AS TRK KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-11-24 WO disclosed