SCHEMBL29958373

SCHEMBL29958373

Cc1cc(C#N)cc(C)c1CNc1cc(OCc2cn3cc(C4CC4)ccc3n2)ncn1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 13/20 0.35
▸ METTL3 Q86U44 2/20 0.34
▸ GRM5 P41594 2/20 0.33
▸ P2RX3 P56373 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CLK4 Q9HAZ1 1/20 0.32
▸ EGLN2 Q96KS0 1/20 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
SCHEMBL27033856 1.00 KLKB1 (0.35) KLKB1METTL3GRM5P2RX3P2RX2
SCHEMBL29957933 0.90 KLKB1 (0.40) KLKB1METTL3P2RX3P2RX2ALDH1A1
SCHEMBL27033348 0.90 KLKB1 (0.40) KLKB1METTL3P2RX3P2RX2ALDH1A1
SCHEMBL29174260 0.89 METTL3 (0.35) KLKB1METTL3
SCHEMBL27033844 0.88 KLKB1 (0.36) KLKB1METTL3
SCHEMBL29958334 0.88 KLKB1 (0.36) KLKB1METTL3
SCHEMBL29174288 0.87 KLKB1 (0.38) KLKB1METTL3
SCHEMBL29958159 0.86 KDM4E (0.43) METTL3GRM5ALDH1A1CYP1A2CYP3A4
SCHEMBL27033419 0.86 KDM4E (0.43) METTL3GRM5ALDH1A1CYP1A2CYP3A4
SCHEMBL29957817 0.85 KLKB1 (0.38) 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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