SCHEMBL23715887

SCHEMBL23715887

CCCCCOc1nc(C(=O)Nc2cc(OC)cc3ccccc23)cc(N2CCN[C@@H](CC#N)C2)n1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ P2RY12 Q9H244 3/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ AXL P30530 10/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL23716039 0.92 AXL (0.37) MEN1KMT2AMAPTHDAC1AXL
SCHEMBL23715888 0.92 P2RY12 (0.35) P2RY12HDAC1AXLEGLN1
SCHEMBL23702629 0.89 CHRM3 (0.39) AXL
SCHEMBL30111502 0.89 CHRM3 (0.39) AXL
SCHEMBL26633249 0.89 CHRM3 (0.39) AXL
SCHEMBL23715768 0.88 POLB (0.36) MEN1KMT2AMAPTHDAC1CDC25B
SCHEMBL23702505 0.87 KRAS (0.41) —
SCHEMBL23702580 0.87 AXL (0.38) AXL
SCHEMBL30111398 0.87 KRAS (0.41) —
SCHEMBL23715895 0.87 KRAS (0.41) —

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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