SCHEMBL29880148

SCHEMBL29880148

Nc1ncncc1OCc1cn2cc(C3CC3)ccc2n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KLKB1 P03952 18/20 0.39
▸ METTL3 Q86U44 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ RAB9A P51151 1/20 0.33

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
SCHEMBL24739315 1.00 KLKB1 (0.39) KLKB1METTL3KDM4ENPC1LMNA
SCHEMBL29305590 0.81 KLKB1 (0.39) KLKB1METTL3
SCHEMBL29957835 0.78 METTL3 (0.38) KLKB1METTL3
SCHEMBL20219591 0.78 NPC1 (0.53) KDM4ENPC1LMNAMAPTRAB9A
SCHEMBL24738257 0.76 METTL3 (0.39) KLKB1METTL3
SCHEMBL29958329 0.76 SMN1; SMN2 (0.42) KLKB1METTL3KDM4ENPC1LMNA
SCHEMBL27033743 0.75 KLKB1 (0.40) KLKB1METTL3
SCHEMBL24738256 0.75 KLKB1 (0.38) KLKB1METTL3KDM4ENPC1RAB9A
SCHEMBL24729569 0.74 METTL3 (0.39) KLKB1METTL3KDM4ENPC1LMNA
SCHEMBL29303098 0.74 KLKB1 (0.40) KLKB1METTL3KDM4ENPC1LMNA

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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