SCHEMBL29388463

SCHEMBL29388463

O=C(c1ccccc1C(F)(F)F)c1nc(-c2ccccc2)c2ccccn12

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 19/20 0.85
▸ PPARG P37231 4/20 0.61
▸ MAP2K3 P46734 1/20 0.49

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
SCHEMBL16582354 0.92 RORC (1.00) RORCPPARG
SCHEMBL16582416 0.86 RORC (1.00) RORCPPARG
SCHEMBL16582418 0.86 RORC (1.00) RORCPPARG
SCHEMBL18064633 0.86 RORC (1.00) RORCPPARG
SCHEMBL16569482 0.86 RORC (0.78) RORCPPARG
SCHEMBL16582415 0.85 RORC (1.00) RORCPPARG
SCHEMBL18064621 0.82 RORC (1.00) RORCPPARG
SCHEMBL18064613 0.82 RORC (1.00) RORCPPARG
SCHEMBL16569210 0.82 RORC (0.64) RORCPPARG
SCHEMBL25253329 0.81 RORC (0.65) RORCPPARGMAP2K3

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
WO-2023109254-A1 METHOD FOR ONE-STEP DIRECT PREPARATION OF 3-ACYL IMIDAZO[1,5-A]PYRIDINE BY MEANS OF [4+1] DUAL AMINATION REACTIONS OF KETOMETHYL 安徽科技学院 2023-06-22 — — WO disclosed
CN-114057737-B Method for directly preparing 3-acyl imidazole [1,5-a ] pyridine by one-step secondary amination reaction of [4+1] ketone methyl 安徽科技学院 2022-08-26 — — CN disclosed
CN-114057737-A Method for directly preparing 3-acyl imidazole [1,5-a ] pyridine by one-step secondary amination reaction of [4+1] ketone methyl 安徽科技学院 2022-02-18 — — CN disclosed
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