SCHEMBL17631550

SCHEMBL17631550

COc1ccc(-c2ccc3nc(N(C#N)C(=O)[C@H]4CCNC4)sc3c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.41
▸ WNT3A P56704 1/20 0.41
▸ MAPT P10636 2/20 0.40
▸ ITK Q08881 6/20 0.39
▸ LCK P06239 2/20 0.39
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ MAP4K1 Q92918 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SULT1A1 P50225 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CLK1 P49759 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GSK3B P49841 1/20 0.36

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
SCHEMBL17632020 0.93 MAPT (0.46) WNT3AMAPTITKMAOAMAOB
SCHEMBL17632007 0.89 LIPG (0.41) ABL1MAP4K1LMNA
SCHEMBL17632490 0.85 MAPT (0.43) MAPTLMNATP53MEN1KMT2A
SCHEMBL17631942 0.84 MAP4K1 (0.34) ABL1MAPTITKMAP4K1
SCHEMBL17632035 0.84 ABL1 (0.45) ABL1LCKMAP4K1
SCHEMBL17632611 0.82 RAB9A (0.37) MAPTLMNAKMT2A
SCHEMBL17632567 0.81 BRD4 (0.47) MAP4K1LMNA
SCHEMBL17631984 0.81 DYRK1A (0.33) MAPTITKMAP4K1TP53
SCHEMBL17631887 0.81 USP30 (0.44) ABL1MAPTMAP4K1
SCHEMBL17632621 0.80 ALDH1A1 (0.47) MAPTMAOBLMNATP53MEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP claimed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO claimed
EP-3197883-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2017-08-02 — — EP disclosed
WO-2016046530-A1 NOVEL COMPOUNDS MISSION THERAPEUTICS LTD (GB) 2016-03-31 — — WO disclosed
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