SCHEMBL24738256

SCHEMBL24738256

Nc1cc(OCc2cn3cc(C4CC4)ccc3n2)cnn1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 16/20 0.38
▸ METTL3 Q86U44 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GRM5 P41594 2/20 0.34

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
SCHEMBL30711687 0.87 KLKB1 (0.39) KLKB1METTL3
SCHEMBL29303097 0.87 KLKB1 (0.39) KLKB1METTL3
SCHEMBL24729569 0.84 METTL3 (0.39) KLKB1METTL3KDM4ENPC1RAB9A
SCHEMBL27033743 0.83 KLKB1 (0.40) KLKB1METTL3
SCHEMBL24738255 0.83 KLKB1 (0.39) KLKB1METTL3
SCHEMBL24738251 0.78 METTL3 (0.43) KLKB1METTL3NPC1RAB9ASMN1; SMN2
SCHEMBL29958329 0.78 SMN1; SMN2 (0.42) KLKB1METTL3KDM4ENPC1RAB9A
SCHEMBL24738257 0.78 METTL3 (0.39) KLKB1METTL3
SCHEMBL24729570 0.76 SMN1; SMN2 (0.41) KLKB1METTL3KDM4ENPC1RAB9A
SCHEMBL24729661 0.76 SMN1; SMN2 (0.46) KLKB1METTL3KDM4ENPC1RAB9A

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 5 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
CN-117396474-A Plasma kallikrein inhibitors 武田药品工业株式会社 2024-01-12 — — CN disclosed
CN-117355521-A Heteroaryl inhibitors of plasma kallikrein 武田药品工业株式会社 2024-01-05 — — CN disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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