SCHEMBL17631942

SCHEMBL17631942

COc1cc(-c2ccc3nc(N(C#N)C(=O)[C@H]4CCNC4)sc3c2)c(OC)nn1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 2/20 0.34
▸ TBK1 Q9UHD2 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ ABL1 P00519 9/20 0.33
▸ PIK3CG P48736 2/20 0.33
▸ KIT P10721 1/20 0.33
▸ PDGFRA P16234 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ FFAR2 O15552 1/20 0.32
▸ ITK Q08881 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
SCHEMBL17631550 0.84 ABL1 (0.41) MAP4K1MAPTABL1ITK
SCHEMBL17632020 0.82 MAPT (0.46) MAPTITK
SCHEMBL17631887 0.81 USP30 (0.44) MAP4K1MAPTABL1KITPDGFRA
SCHEMBL17632007 0.80 LIPG (0.41) MAP4K1ABL1PIK3CG
SCHEMBL17632490 0.80 MAPT (0.43) MAPT
SCHEMBL17632035 0.79 ABL1 (0.45) MAP4K1ABL1KITPDGFRA
SCHEMBL17632611 0.77 RAB9A (0.37) MAPT
SCHEMBL17632567 0.77 BRD4 (0.47) MAP4K1
SCHEMBL17631984 0.76 DYRK1A (0.33) MAP4K1MAPTITK
SCHEMBL17632621 0.76 ALDH1A1 (0.47) MAPT

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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