SCHEMBL28451756

SCHEMBL28451756

CCNC(=O)c1cc(Cl)cc(Cl)c1N(C)C(=O)c1cc(Br)nn1-c1ncccc1Cl.CCNC(=O)c1cc(Cl)cc(Cl)c1NC

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHIA Q9BZP6 1/20 0.36
▸ DHODH Q02127 3/20 0.35
▸ PDE4B Q07343 1/20 0.32
▸ NTRK1 P04629 3/20 0.32

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
SCHEMBL24397793 0.95 CHIA (0.39) CHIADHODHPDE4BNTRK1
SCHEMBL28451730 0.92 DHODH (0.37) DHODHNTRK1
SCHEMBL28447607 0.90 CHIA (0.39) CHIADHODHPDE4BNTRK1
SCHEMBL28458430 0.90 DHODH (0.40) CHIADHODHPDE4BNTRK1
SCHEMBL28455067 0.89 POLB (0.39) DHODHPDE4B
SCHEMBL24397959 0.88 DHODH (0.39) DHODHNTRK1
SCHEMBL28451011 0.87 HPGD (0.39) DHODH
SCHEMBL24397844 0.87 CHIA (0.39) CHIADHODHPDE4BNTRK1
SCHEMBL28451061 0.87 CHIA (0.35) CHIADHODHPDE4BNTRK1
SCHEMBL29912749 0.84 DHODH (0.41) CHIADHODHPDE4BNTRK1

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-111662269-B 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2021-05-07 — — CN disclosed
CN-111662269-A 1-pyridyl pyrazole amide compound and preparation method and application thereof 湖南化工研究院有限公司 2020-09-15 — — CN disclosed
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