SCHEMBL23863704

SCHEMBL23863704

Cc1nc(C)c(CNCc2cc(-c3ccc(C#N)nc3)cc3c2ccn3C2CCOCC2)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PDE9A O76083 11/20 0.46
▸ EZH2 Q15910 2/20 0.35
▸ EED O75530 1/20 0.35
▸ SUZ12 Q15022 1/20 0.35
▸ PDE4D Q08499 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ KDM1A O60341 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
SCHEMBL17734416 0.88 EZH2 (0.44) PDE9AEZH2EEDSUZ12
SCHEMBL17734412 0.77 EZH2 (0.55) EZH2EEDSUZ12
SCHEMBL17734418 0.74 EZH2 (0.56) EZH2EEDSUZ12
SCHEMBL23863703 0.73 EZH2 (0.52) EZH2EEDSUZ12
SCHEMBL24227152 0.72 EZH2 (0.45) PDE9AEZH2EEDSUZ12
SCHEMBL17734356 0.64 EZH2 (0.57) EZH2EEDSUZ12
SCHEMBL17734413 0.63 EZH2 (0.71) EZH2EEDSUZ12
SCHEMBL20621469 0.63 EZH2 (0.71) EZH2EEDSUZ12
SCHEMBL12399438 0.63 PDE9A (1.00) PDE9A
SCHEMBL20621515 0.62 EZH2 (0.56) EZH2EEDSUZ12

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
EP-3885343-A1 INDOLE COMPOUNDS AS EZH2 INHIBITORS AND USES THEREOF Dana-Farber Cancer Institute, Inc. (US) 2021-09-29 — — EP disclosed
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