SCHEMBL29137018

SCHEMBL29137018

O=C(Nc1cc(NCc2cn3cc(Cl)ccc3n2)ccn1)C1CC1c1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 11/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TRPM5 Q9NZQ8 2/20 0.40
▸ BRAF P15056 1/20 0.40
▸ PKM P14618 1/20 0.39
▸ BLM P54132 1/20 0.39

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
SCHEMBL29137019 1.00 TYK2 (0.42) TYK2KDM4ETP53TRPM5BRAF
SCHEMBL24737798 1.00 TYK2 (0.42) TYK2KDM4ETP53TRPM5BRAF
SCHEMBL29136815 0.92 DGAT1 (0.42) TYK2BRAF
SCHEMBL27957767 0.92 DGAT1 (0.42) TYK2BRAF
SCHEMBL24739072 0.92 DGAT1 (0.42) TYK2BRAF
SCHEMBL29136756 0.92 DGAT1 (0.42) TYK2BRAF
SCHEMBL29136754 0.92 DGAT1 (0.42) TYK2BRAF
SCHEMBL29879153 0.92 DGAT1 (0.42) TYK2BRAF
SCHEMBL24737628 0.91 TYK2 (0.41) TYK2TRPM5BRAF
SCHEMBL29136961 0.91 TYK2 (0.41) TYK2TRPM5BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
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