SCHEMBL30801736

SCHEMBL30801736

O=C1[C@H]2CNCCN2CCN1c1ccc(-c2ccnc3[nH]ncc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
TDO2 P48775 1/20 0.37
NUDT1 P36639 1/20 0.36
TNIK Q9UKE5 1/20 0.36
CSNK1D P48730 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
BRD4 O60885 1/20 0.35
TLR7 Q9NYK1 5/20 0.34
TLR8 Q9NR97 5/20 0.34
TLR9 Q9NR96 3/20 0.33
ROCK2 O75116 3/20 0.33
METAP2 P50579 1/20 0.33
GPR119 Q8TDV5 1/20 0.33
CHEK1 O14757 1/20 0.33
ATR Q13535 1/20 0.33
PDCD1 Q15116 1/20 0.33
ATRIP Q8WXE1 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
PRKCQ Q04759 2/20 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
SCHEMBL30801809 0.85 METAP2 (0.39) USP30TDO2BRD4ROCK2METAP2
SCHEMBL23574032 0.83 USP30 (0.49) USP30NUDT1TNIKCSNK1DMAPK11
SCHEMBL23574036 0.83 USP30 (0.49) USP30NUDT1TNIKCSNK1DMAPK11
SCHEMBL30801754 0.81 CREBBP (0.35) TDO2ROCK2METAP2GPR119
SCHEMBL30801740 0.81 METAP2 (0.33) TDO2ROCK2METAP2GPR119
SCHEMBL30801817 0.80 MAPT (0.39) USP30TDO2ROCK2GPR119ATR
SCHEMBL30801833 0.78 F10 (0.40) ROCK2GPR119ATR
SCHEMBL30801838 0.72 OTUD7B (0.35) BRD4ROCK2METAP2CHEK1ATR
SCHEMBL30801888 0.72 ROCK2 (0.38) USP30BRD4ROCK2METAP2PRKCQ
SCHEMBL30801875 0.70 TYRO3 (0.37) ROCK2

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
EP-3793997-B1 FUSED BICYCLIC COMPOUNDS USEFUL AS UBIQUITIN-SPECIFIC PEPTIDASE 30 INHIBITORS FORMA THERAPEUTICS INC (US) 2024-03-13 EP claimed