SCHEMBL28839895

SCHEMBL28839895

CC1(C)c2[nH]nc(NC(=O)c3ccccc3)c2CN1Cc1cc(F)cc(F)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 20/20 1.00
NTRK3 Q16288 2/20 0.75
NTRK2 Q16620 2/20 0.75

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
SCHEMBL28839269 0.93 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL28839270 0.93 NTRK1 (1.00) NTRK1
SCHEMBL28839297 0.92 NTRK1 (1.00) NTRK1
SCHEMBL28839215 0.91 NTRK1 (1.00) NTRK1
SCHEMBL28839342 0.91 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL28839229 0.90 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL28839288 0.90 NTRK1 (1.00) NTRK1
SCHEMBL28839361 0.89 NTRK1 (1.00) NTRK1NTRK3NTRK2
SCHEMBL28839273 0.89 NTRK1 (1.00) NTRK1
SCHEMBL29871059 0.89 NTRK1 (1.00) NTRK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115073471-B Pyrazolo tetrahydropyrrole derivative, preparation method and application thereof in medicine 沈阳药科大学 2023-03-21 CN claimed
CN-115073471-A Pyrazolo tetrahydropyrrole derivative, preparation method and application thereof in medicine 沈阳药科大学 2022-09-20 CN claimed
CN-115073471-B Pyrazolo tetrahydropyrrole derivative, preparation method and application thereof in medicine 沈阳药科大学 2023-03-21 CN disclosed
CN-115073471-A Pyrazolo tetrahydropyrrole derivative, preparation method and application thereof in medicine 沈阳药科大学 2022-09-20 CN disclosed