SCHEMBL29857648

SCHEMBL29857648

C[C@H](Oc1cc(B2OC(C)(C)C(C)(C)O2)cnc1N)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 7/20 0.46
▸ KDR P35968 7/20 0.46
▸ JAK2 O60674 4/20 0.42
▸ MAP3K12 Q12852 1/20 0.40
▸ MET P08581 3/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ LPL P06858 1/20 0.38
▸ LIPG Q9Y5X9 1/20 0.38
▸ AAK1 Q2M2I8 1/20 0.37
▸ NUDT1 P36639 1/20 0.35
▸ ALPL P05186 1/20 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
SCHEMBL26916323 1.00 PDGFRB (0.46) PDGFRBKDRJAK2MAP3K12MET
SCHEMBL29857797 1.00 PDGFRB (0.46) PDGFRBKDRJAK2MAP3K12MET
SCHEMBL10215045 1.00 PDGFRB (0.46) PDGFRBKDRJAK2MAP3K12MET
SCHEMBL26916629 1.00 PDGFRB (0.46) PDGFRBKDRJAK2MAP3K12MET
SCHEMBL29857806 0.90 JAK2 (0.42) PDGFRBKDRJAK2MAP3K12AAK1
SCHEMBL26917195 0.90 JAK2 (0.42) PDGFRBKDRJAK2MAP3K12AAK1
SCHEMBL26916630 0.90 JAK2 (0.42) PDGFRBKDRJAK2MAP3K12AAK1
SCHEMBL26916637 0.90 JAK2 (0.42) PDGFRBKDRJAK2MAP3K12AAK1
SCHEMBL29857513 0.90 JAK2 (0.42) PDGFRBKDRJAK2MAP3K12AAK1
SCHEMBL26916586 0.89 PDGFRB (0.39) PDGFRBKDRJAK2MAP3K12MET

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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