SCHEMBL23716039

SCHEMBL23716039

COc1cc(NC(=O)c2cc(N3CCN[C@@H](CC#N)C3)nc(OC)n2)c2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 2/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ CDC25B P30305 2/20 0.34
▸ CHEK1 O14757 4/20 0.34
▸ BRPF1 P55201 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ ADRB1 P08588 2/20 0.34
▸ MAPK14 Q16539 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.33
▸ L3MBTL1 Q9Y468 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
SCHEMBL23715768 0.92 POLB (0.36) MEN1KMT2AMAPTHDAC1CDC25B
SCHEMBL23715887 0.92 MEN1 (0.34) AXLMEN1KMT2AMAPTHDAC1
SCHEMBL23702580 0.89 AXL (0.38) AXLMAPK14
SCHEMBL30111398 0.89 KRAS (0.41) —
SCHEMBL30111490 0.89 AXL (0.38) AXLMAPK14
SCHEMBL23715895 0.89 KRAS (0.41) —
SCHEMBL23702505 0.89 KRAS (0.41) —
SCHEMBL23702629 0.89 CHRM3 (0.39) AXL
SCHEMBL30111423 0.89 KRAS (0.41) —
SCHEMBL30111502 0.89 CHRM3 (0.39) AXL

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-2021152149-A1 RAS INHIBITORS AND METHODS OF USING THE SAME JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2021-08-05 — — WO disclosed
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