SCHEMBL23084134

SCHEMBL23084134

CNC(=O)c1cnn2ccc(N[C@H](C)c3cc(F)cnc3OC)nc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.55
▸ JAK2 O60674 10/20 0.55
▸ NTRK3 Q16288 6/20 0.47
▸ NTRK2 Q16620 6/20 0.47

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
SCHEMBL18361533 0.87 NTRK1 (0.46) NTRK1JAK2NTRK3NTRK2
SCHEMBL13355509 0.84 NTRK1 (0.65) NTRK1NTRK3NTRK2
SCHEMBL27060297 0.83 NTRK1 (0.44) NTRK1JAK2NTRK3NTRK2
SCHEMBL13355578 0.81 NTRK1 (0.61) NTRK1JAK2NTRK3NTRK2
SCHEMBL27060300 0.80 NTRK1 (0.47) NTRK1NTRK3NTRK2
SCHEMBL15154796 0.80 NTRK1 (0.48) NTRK1JAK2NTRK3NTRK2
SCHEMBL15154794 0.80 NTRK1 (0.48) NTRK1JAK2NTRK3NTRK2
SCHEMBL29497207 0.79 NTRK1 (0.52) NTRK1NTRK3NTRK2
SCHEMBL23501318 0.79 NTRK1 (0.42) NTRK1JAK2NTRK3NTRK2
SCHEMBL23501317 0.79 NTRK1 (0.42) NTRK1JAK2NTRK3NTRK2

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
WO-2021042890-A1 HETEROCYCLIC COMPOUND AND APPLICATION THEREOF AS TRK KINASE INHIBITOR 罗欣药业(上海)有限公司 2021-03-11 — — WO disclosed
Send feedback