SCHEMBL29879385

SCHEMBL29879385

CC(=O)N(C)c1cc(C2CC2)cn2cc(CNc3cc(Cl)ncn3)nc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 3/20 0.34
▸ FGFR4 P22455 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CLK4 Q9HAZ1 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ FGFR3 P22607 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL24738873 1.00 KLKB1 (0.34) KLKB1FGFR4ALDH1A1ALOX15HSD17B10
SCHEMBL29879730 0.88 KLKB1 (0.32) KLKB1CYP3A4CYP2C9FGFR3CYP2C19
SCHEMBL29304491 0.88 KLKB1 (0.32) KLKB1CYP3A4CYP2C9FGFR3CYP2C19
SCHEMBL29302902 0.85 KLKB1 (0.39) KLKB1
SCHEMBL30997821 0.85 KLKB1 (0.39) KLKB1
SCHEMBL29879646 0.83 KLKB1 (0.34) KLKB1
SCHEMBL24737532 0.83 KLKB1 (0.34) KLKB1
SCHEMBL24739985 0.82 PRCP (0.35) KLKB1
SCHEMBL30997845 0.82 PRCP (0.35) KLKB1
SCHEMBL24739007 0.82 KLKB1 (0.33) KLKB1

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-4308230-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN Takeda Pharmaceutical Company Limited (JP) 2024-01-24 — — EP disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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