SCHEMBL21702506

SCHEMBL21702506

Cc1nc(-c2ccc(CNC(=O)c3cc(C)n(C)n3)cc2)no1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ PLK1 P53350 1/20 0.48
▸ DRD5 P21918 2/20 0.46
▸ MMP13 P45452 2/20 0.46
▸ MAPT P10636 1/20 0.44
▸ BAZ2B Q9UIF8 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ AURKA O14965 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP10 P09238 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ MAPKAPK2 P49137 1/20 0.43
▸ MMP14 P50281 1/20 0.43
▸ PRKAA1 Q13131 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL21702522 0.83 L3MBTL1 (0.52) L3MBTL1PLK1MAPTPOLBKMT2A
SCHEMBL21683299 0.78 PLK1 (0.58) PLK1MAPTPOLBKMT2AHDAC1
SCHEMBL23780470 0.78 HDAC6 (0.62) PLK1MMP13PRKACAHDAC1HDAC6
SCHEMBL21683294 0.78 L3MBTL1 (0.47) L3MBTL1PLK1MAPTPOLBKMT2A
SCHEMBL23291895 0.77 PLK1 (0.57) PLK1MAPTPOLBKMT2AHDAC1
SCHEMBL23791596 0.75 PLK1 (0.55) PLK1MAPTPOLBKMT2AHDAC1
SCHEMBL23292063 0.74 HDAC1 (0.48) PLK1MAPTPOLBKMT2AHDAC1
SCHEMBL29064129 0.73 PPARG (0.57) L3MBTL1BAZ2BKMT2AHDAC1HDAC6
SCHEMBL23780436 0.72 SMN1; SMN2 (0.48) PLK1MAPTPOLBKMT2AHDAC1
SCHEMBL30172405 0.72 SMN1; SMN2 (0.48) PLK1MAPTPOLBKMT2AHDAC1

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-2020033413-A2 MODULATORS OF RAS GTPASE TOSK, INC. (US) 2020-02-13 — — WO disclosed
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