SCHEMBL29136815

SCHEMBL29136815

O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1)[C@@H]1CC1c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 1/20 0.42
▸ KLKB1 P03952 8/20 0.41
▸ TYK2 P29597 5/20 0.41
▸ METTL3 Q86U44 1/20 0.39
▸ BRAF P15056 2/20 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
SCHEMBL24739072 1.00 DGAT1 (0.42) DGAT1KLKB1TYK2METTL3BRAF
SCHEMBL29136754 1.00 DGAT1 (0.42) DGAT1KLKB1TYK2METTL3BRAF
SCHEMBL27957767 1.00 DGAT1 (0.42) DGAT1KLKB1TYK2METTL3BRAF
SCHEMBL29879153 1.00 DGAT1 (0.42) DGAT1KLKB1TYK2METTL3BRAF
SCHEMBL29136756 1.00 DGAT1 (0.42) DGAT1KLKB1TYK2METTL3BRAF
SCHEMBL24737798 0.92 TYK2 (0.42) TYK2BRAF
SCHEMBL29137018 0.92 TYK2 (0.42) TYK2BRAF
SCHEMBL29137019 0.92 TYK2 (0.42) TYK2BRAF
SCHEMBL24738308 0.91 KLKB1 (0.39) KLKB1TYK2METTL3
SCHEMBL29879563 0.91 KLKB1 (0.39) KLKB1TYK2METTL3

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
Send feedback