SCHEMBL23715888

SCHEMBL23715888

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

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 4/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34
▸ KRAS P01116 3/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ AXL P30530 9/20 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
SCHEMBL23715887 0.92 MEN1 (0.34) P2RY12HDAC1EGLN1AXL
SCHEMBL26633248 0.88 KRAS (0.44) KRASSOS1
SCHEMBL30111419 0.88 KRAS (0.44) KRASSOS1
SCHEMBL30111429 0.87 KRAS (0.40) HDAC1EGLN1KRASSOS1AXL
SCHEMBL30111530 0.87 KRAS (0.48) KRASSOS1
SCHEMBL30111448 0.87 HDAC1 (0.35) HDAC1EGLN1KRASSOS1AXL
SCHEMBL23715770 0.87 HDAC1 (0.35) HDAC1EGLN1KRASSOS1AXL
SCHEMBL23702666 0.87 KRAS (0.40) HDAC1EGLN1KRASSOS1AXL
SCHEMBL23702511 0.87 KRAS (0.48) KRASSOS1
SCHEMBL23702653 0.87 KRAS (0.48) KRASSOS1

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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