SCHEMBL20830306

SCHEMBL20830306

O=c1cc(CSc2nc(-c3ccc(-c4ccc5nc(-n6[nH]c(CSc7nc8cccnc8s7)cc6=O)[nH]c5c4)cc3)cs2)[nH]n1-c1nc2ccccc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ CASP1 P29466 2/20 0.41
▸ KDM4A O75164 1/20 0.41
▸ KDM4B O94953 1/20 0.41
▸ KDM4D Q6B0I6 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ ALKBH3 Q96Q83 9/20 0.39
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ TP53 P04637 2/20 0.39
▸ GAA P10253 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALPL P05186 1/20 0.39
▸ ALPI P09923 1/20 0.39
▸ ALPG P10696 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL20819246 0.88 KDM4E (0.50) KDM4ETDP1L3MBTL1POLBALOX15
SCHEMBL20830302 0.84 KDM4E (0.55) KDM4ETDP1L3MBTL1POLBALOX15
SCHEMBL20819988 0.75 ALKBH3 (0.57) KDM4ETDP1L3MBTL1POLBALOX15
SCHEMBL20830329 0.74 KDM4E (0.57) KDM4ETDP1L3MBTL1POLBALOX15
SCHEMBL20819213 0.74 KDM4E (0.53) KDM4ETDP1L3MBTL1POLBALOX15
SCHEMBL20819206 0.73 MAPT (0.49) KDM4ETDP1L3MBTL1POLBALOX15
SCHEMBL20830173 0.73 KDM4E (0.50) KDM4ETDP1L3MBTL1POLBALOX15
SCHEMBL22487780 0.73 ALKBH3 (0.56) KDM4ETDP1L3MBTL1POLBALOX15
SCHEMBL20830287 0.72 KDM4E (0.55) KDM4ETDP1L3MBTL1POLBALOX15
SCHEMBL20819222 0.70 KDM4E (0.59) KDM4ETDP1L3MBTL1POLBALOX15

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-2019055540-A1 COMPOUNDS AS RAS INHIBITORS AND USE THEREOF D.E. SHAW RESEARCH, LLC (US) 2019-03-21 — — WO disclosed
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