SCHEMBL29957933

SCHEMBL29957933

Cc1cc(C#N)cc(C)c1CNc1cc(NCc2cn3cc(C4CC4)ccc3n2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 15/20 0.40
▸ METTL3 Q86U44 2/20 0.39
▸ P2RX3 P56373 1/20 0.37
▸ P2RX2 Q9UBL9 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ LRRK2 Q5S007 1/20 0.35

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
SCHEMBL27033348 1.00 KLKB1 (0.40) KLKB1METTL3P2RX3P2RX2ALDH1A1
SCHEMBL27033856 0.90 KLKB1 (0.35) KLKB1METTL3P2RX3P2RX2ALDH1A1
SCHEMBL29958373 0.90 KLKB1 (0.35) KLKB1METTL3P2RX3P2RX2ALDH1A1
SCHEMBL29958064 0.85 KLKB1 (0.37) KLKB1METTL3LRRK2
SCHEMBL27033452 0.85 KLKB1 (0.37) KLKB1METTL3LRRK2
SCHEMBL27033821 0.84 KLKB1 (0.42) KLKB1METTL3
SCHEMBL29958170 0.84 KLKB1 (0.42) KLKB1METTL3
SCHEMBL29958167 0.84 KLKB1 (0.40) KLKB1METTL3
SCHEMBL24729704 0.82 METTL3 (0.44) KLKB1METTL3
Formic Acid SCHEMBL27033368 0.81 KLKB1 (0.41) KLKB1METTL3

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
EP-4308228-A1 PLASMA KALLIKREIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197756-A1 PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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