SCHEMBL21815180

SCHEMBL21815180

CCOC(=O)c1cnn2ccc(N[C@H](C)c3cc(F)ccc3O[C@H](C)CNC(=O)OC(C)(C)C)nc12

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 16/20 0.43
▸ NTRK3 Q16288 9/20 0.43
▸ NTRK2 Q16620 7/20 0.43
▸ MKNK2 Q9HBH9 4/20 0.39

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
SCHEMBL16946813 1.00 NTRK1 (0.43) NTRK1NTRK3NTRK2MKNK2
SCHEMBL20359954 1.00 NTRK1 (0.43) NTRK1NTRK3NTRK2MKNK2
SCHEMBL20359956 1.00 NTRK1 (0.43) NTRK1NTRK3NTRK2MKNK2
SCHEMBL31250788 0.94 NTRK1 (0.44) NTRK1NTRK3NTRK2
SCHEMBL18361450 0.93 NTRK1 (0.44) NTRK1NTRK3NTRK2
SCHEMBL18361545 0.93 NTRK1 (0.43) NTRK1NTRK3NTRK2
SCHEMBL18361487 0.92 MKNK2 (0.38) NTRK1NTRK3NTRK2MKNK2
SCHEMBL20359267 0.92 NTRK1 (0.45) NTRK1NTRK3NTRK2MKNK2
SCHEMBL18376029 0.92 NTRK1 (0.45) NTRK1NTRK3NTRK2MKNK2
SCHEMBL20359268 0.92 NTRK1 (0.45) NTRK1NTRK3NTRK2MKNK2

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
EP-3856192-A1 DEGRADERS THAT TARGET ALK AND THERAPEUTIC USES THEREOF Dana Farber Cancer Institute, Inc. (US) 2021-08-04 — — EP disclosed
WO-2020069106-A1 DEGRADERS THAT TARGET ALK AND THERAPEUTIC USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-02 — — WO disclosed
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