SCHEMBL29264971

SCHEMBL29264971

O=C1Nc2ccc(NCc3cc(F)cc(F)c3)cc2/C1=C/c1cnc[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NTRK1 P04629 17/20 1.00
▸ NTRK3 Q16288 3/20 1.00
▸ TLK2 Q86UE8 2/20 0.63
▸ PDPK1 O15530 1/20 0.61

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
SCHEMBL29264975 1.00 NTRK1 (1.00) NTRK1NTRK3TLK2PDPK1
SCHEMBL29264955 0.85 NTRK1 (1.00) NTRK1NTRK3TLK2PDPK1
SCHEMBL29264957 0.85 NTRK1 (1.00) NTRK1NTRK3TLK2PDPK1
SCHEMBL29264958 0.84 NTRK1 (1.00) NTRK1NTRK3TLK2
SCHEMBL29264956 0.84 NTRK1 (1.00) NTRK1NTRK3TLK2
SCHEMBL29264991 0.84 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL29264986 0.84 NTRK1 (1.00) NTRK1NTRK3
SCHEMBL29264960 0.82 NTRK1 (1.00) NTRK1NTRK3TLK2PDPK1
SCHEMBL29264963 0.82 NTRK1 (1.00) NTRK1NTRK3TLK2PDPK1
SCHEMBL30997322 0.81 NTRK1 (1.00) NTRK1NTRK3

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
CN-118221652-A Indol-2-one derivative and preparation method and application thereof 沈阳药科大学 2024-06-21 — — CN claimed
CN-118221652-A Indol-2-one derivative and preparation method and application thereof 沈阳药科大学 2024-06-21 — — CN disclosed
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