Sugi Predict

Sugi Predict / Compounds / SCHEMBL22013115

SCHEMBL22013115

SCHEMBL22013115

Fc1ccc(F)c([C@H]2CCCN2c2ccc3ncc(F)c(Br)c3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 20/20 0.52
▸ JAK2 O60674 5/20 0.49
▸ NTRK3 Q16288 1/20 0.48

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
SCHEMBL22013400 0.82 NTRK1 (0.43) NTRK1
SCHEMBL29692830 0.81 NTRK1 (0.51) NTRK1JAK2NTRK3
SCHEMBL12526210 0.81 NTRK1 (0.57) NTRK1JAK2NTRK3
SCHEMBL29692874 0.81 NTRK1 (0.51) NTRK1JAK2NTRK3
SCHEMBL23825282 0.81 NTRK1 (0.51) NTRK1JAK2NTRK3
SCHEMBL23825258 0.81 NTRK1 (0.51) NTRK1JAK2NTRK3
SCHEMBL22013642 0.81 NTRK1 (0.51) NTRK1JAK2NTRK3
SCHEMBL22013060 0.81 NTRK1 (0.51) NTRK1JAK2NTRK3
SCHEMBL29692836 0.81 NTRK1 (0.51) NTRK1JAK2NTRK3
SCHEMBL29692805 0.81 NTRK1 (0.51) NTRK1JAK2NTRK3

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-3882247-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-09-22 — — EP disclosed
WO-2020098723-A1 SIX-MEMBERED AND SIX-MEMBERED HETEROCYCLIC COMPOUND AND USES THEREOF SERVING AS PROTEIN RECEPTOR KINASE INHIBITOR 上海轶诺药业有限公司 2020-05-22 — — WO disclosed