SCHEMBL29858142

SCHEMBL29858142

C[C@@H](Oc1cc(Br)cnc1N)c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 2/20 0.52
▸ MAP3K12 Q12852 2/20 0.49
▸ JAK2 O60674 11/20 0.44
▸ BRD4 O60885 1/20 0.40
▸ ALK Q9UM73 2/20 0.39
▸ KMO O15229 1/20 0.37
▸ JAK1 P23458 1/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL29858105 1.00 MET (0.52) METMAP3K12JAK2BRD4ALK
SCHEMBL26916644 1.00 MET (0.52) METMAP3K12JAK2BRD4ALK
SCHEMBL16212180 1.00 MET (0.52) METMAP3K12JAK2BRD4ALK
SCHEMBL26917087 1.00 MET (0.52) METMAP3K12JAK2BRD4ALK
SCHEMBL26916404 0.83 MET (0.53) METMAP3K12JAK2ALKJAK1
SCHEMBL26916400 0.83 MET (0.53) METMAP3K12JAK2ALKJAK1
SCHEMBL26916761 0.83 MET (0.51) METMAP3K12JAK2ALKKMO
SCHEMBL26916645 0.83 MET (0.51) METMAP3K12JAK2ALKKMO
SCHEMBL29857638 0.83 MET (0.51) METMAP3K12JAK2ALKKMO
SCHEMBL24133538 0.82 BRD4 (0.40) MAP3K12BRD4KMO

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-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 — — EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 — — WO disclosed
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