SCHEMBL29857638

SCHEMBL29857638

Cc1ccnc(C(C)Oc2cc(Br)cnc2N)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 3/20 0.51
▸ POLB P06746 1/20 0.36
▸ KMO O15229 2/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ MAP3K12 Q12852 1/20 0.36
▸ JAK2 O60674 6/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ ALK Q9UM73 3/20 0.35
▸ JAK1 P23458 1/20 0.34
▸ TYK2 P29597 1/20 0.34
▸ JAK3 P52333 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
SCHEMBL26916761 1.00 MET (0.51) METPOLBKMOKMT2AMEN1
SCHEMBL26916645 1.00 MET (0.51) METPOLBKMOKMT2AMEN1
SCHEMBL29858142 0.83 MET (0.52) METKMOKMT2AHTTMAP3K12
SCHEMBL29858105 0.83 MET (0.52) METKMOKMT2AHTTMAP3K12
SCHEMBL26917087 0.83 MET (0.52) METKMOKMT2AHTTMAP3K12
SCHEMBL26916644 0.83 MET (0.52) METKMOKMT2AHTTMAP3K12
SCHEMBL16212180 0.83 MET (0.52) METKMOKMT2AHTTMAP3K12
SCHEMBL29857979 0.83 MET (0.52) METKMOKMT2AMEN1HTT
SCHEMBL26917067 0.83 MET (0.52) METKMOKMT2AMEN1HTT
SCHEMBL26916275 0.81 KMO (0.37) METPOLBKMOKMT2AMEN1

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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