SCHEMBL23459658

SCHEMBL23459658

Cc1cc(N)cc2c1nc(C)n2N

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.38
▸ EGFR P00533 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ GAA P10253 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ RAD52 P43351 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL19330053 0.73 MMP12 (0.38) RPS6KA3ALDH1A1KDM4EGAATP53
SCHEMBL5144295 0.71 TLR8 (0.44) EGFRALDH1A1KDM4EGAATSHR
SCHEMBL23876533 0.71 EGFR (0.37) EGFRALDH1A1KDM4EGAATP53
SCHEMBL23459663 0.69 KDM4E (0.47) ALDH1A1KDM4EGAATP53HPGD
SCHEMBL23459660 0.69 PRMT5 (0.40) EGFRALDH1A1KDM4EGAAHSD17B10
SCHEMBL15910605 0.68 KDM4E (0.37) RPS6KA3ALDH1A1KDM4EGAARAD52
SCHEMBL17686232 0.65 BRD2 (0.37) RPS6KA3ALDH1A1KDM4ETP53TSHR
SCHEMBL1285878 0.63 RPS6KA3 (0.58) RPS6KA3ALDH1A1KDM4EGAAHPGD
SCHEMBL23459661 0.62 NOS2 (0.34) —
SCHEMBL15174271 0.61 RPS6KA5 (0.41) EGFRALDH1A1KDM4EGAARAB9A

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-2021105481-A1 NOVEL COMPOUNDS FOR TREATMENT OF DISEASES RELATED TO DUX4 EXPRESSION Facio Intellectual Property B.V. (NL) 2021-06-03 — — WO disclosed
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