SCHEMBL24737728

SCHEMBL24737728

O=C(Nc1cc(NCc2cn3cc(C4CC4)ccc3n2)ccn1)C1CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACVRL1 P37023 4/20 0.48
▸ BRAF P15056 4/20 0.47
▸ METTL3 Q86U44 1/20 0.45
▸ PIK3C3 Q8NEB9 2/20 0.44
▸ TYK2 P29597 6/20 0.43
▸ JAK2 O60674 1/20 0.43
▸ JAK1 P23458 1/20 0.43
▸ CDK9 P50750 1/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ ABL1 P00519 2/20 0.42
▸ KLKB1 P03952 1/20 0.41

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
SCHEMBL27033947 0.87 PIK3C3 (0.39) ACVRL1BRAFMETTL3PIK3C3TYK2
SCHEMBL24729640 0.87 METTL3 (0.43) METTL3KLKB1
SCHEMBL24739071 0.86 METTL3 (0.43) METTL3KLKB1
SCHEMBL27033957 0.86 KLKB1 (0.40) ACVRL1BRAFMETTL3TYK2JAK2
SCHEMBL29958278 0.86 KLKB1 (0.40) ACVRL1BRAFMETTL3TYK2JAK2
SCHEMBL29305553 0.86 METTL3 (0.46) METTL3ABL1KLKB1
SCHEMBL24738308 0.84 KLKB1 (0.39) ACVRL1METTL3TYK2KLKB1
SCHEMBL29879563 0.84 KLKB1 (0.39) ACVRL1METTL3TYK2KLKB1
SCHEMBL29302924 0.84 KLKB1 (0.39) ACVRL1METTL3TYK2KLKB1
SCHEMBL29304996 0.84 ACVRL1 (0.44) ACVRL1BRAFPIK3C3TYK2JAK2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022197758-A1 HETEROARYL INHIBITORS OF PLASMA KALLIKREIN SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2022-09-22 — — WO disclosed
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