SCHEMBL23037402

SCHEMBL23037402

CC(c1cc(F)ccc1OCCO)N(C)c1ccn2ncc(C(=O)O)c2n1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 19/20 0.51
▸ NTRK3 Q16288 12/20 0.51
▸ NTRK2 Q16620 10/20 0.51
▸ JAK2 O60674 3/20 0.40
▸ CSNK2A2 P19784 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40

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
SCHEMBL23037401 1.00 NTRK1 (0.51) NTRK1NTRK3NTRK2JAK2CSNK2A2
SCHEMBL31171167 1.00 NTRK1 (0.51) NTRK1NTRK3NTRK2JAK2CSNK2A2
SCHEMBL29617203 0.92 NTRK1 (0.51) NTRK1NTRK3NTRK2JAK2
SCHEMBL23037390 0.81 NTRK1 (0.59) NTRK1NTRK3NTRK2
SCHEMBL31171166 0.81 NTRK1 (0.59) NTRK1NTRK3NTRK2
SCHEMBL23037392 0.81 NTRK1 (0.59) NTRK1NTRK3NTRK2
SCHEMBL30688867 0.78 NTRK1 (0.44) NTRK1NTRK3NTRK2
SCHEMBL16946775 0.77 NTRK1 (0.53) NTRK1NTRK3NTRK2
SCHEMBL30092503 0.77 NTRK1 (0.53) NTRK1NTRK3NTRK2
SCHEMBL16947001 0.76 IRAK4 (0.42) NTRK1NTRK3NTRK2JAK2

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
EP-3786167-B1 DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF PRIMEGENE BEIJING CO LTD (CN) 2024-08-21 — — EP disclosed
EP-3786167-A1 DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF Primegene (Beijing) Co., Ltd. (CN) 2021-03-03 — — EP disclosed
EP-3786167-A1 DIARYL MACROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION, AND USE THEREOF Primegene (Beijing) Co., Ltd. (CN) 2021-03-03 — — EP disclosed
Send feedback