SCHEMBL30801888

SCHEMBL30801888

O=C1[C@H]2CNCCN2CCN1c1cnc(-c2cccc3[nH]ncc23)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
PRKCA P17252 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
PRKCQ Q04759 1/20 0.35
METAP2 P50579 1/20 0.34
PIK3CA P42336 7/20 0.33
MTOR P42345 3/20 0.33
BRD4 O60885 2/20 0.33
CHRNA7 P36544 1/20 0.33
ACVR1 Q04771 1/20 0.33
ATAD2 Q6PL18 1/20 0.33
PIK3R1 P27986 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
CREBBP Q92793 1/20 0.33
OTUD7B Q6GQQ9 1/20 0.33
USP30 Q70CQ3 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 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
SCHEMBL30801838 0.87 OTUD7B (0.35) ROCK2ROCK1PRKCAFLT3GSK3B
SCHEMBL30801809 0.87 METAP2 (0.39) ROCK2ROCK1FLT3METAP2PIK3CA
SCHEMBL30801875 0.86 TYRO3 (0.37) ROCK2ALOX5APFEN1CYP2D6SLC6A2
SCHEMBL23574144 0.83 USP30 (0.44) ROCK2ROCK1PRKCAFLT3GSK3B
SCHEMBL30986857 0.83 USP30 (0.44) ROCK2ROCK1PRKCAFLT3GSK3B
SCHEMBL23574137 0.83 USP30 (0.44) ROCK2ROCK1PRKCAFLT3GSK3B
SCHEMBL30801754 0.74 CREBBP (0.35) ROCK2METAP2CREBBP
SCHEMBL30801871 0.72 TYRO3 (0.34) ROCK2CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL30801736 0.72 USP30 (0.39) ROCK2PRKCQMETAP2BRD4USP30
SCHEMBL23574073 0.70 OTUD7B (0.44) ROCK2ROCK1METAP2PIK3CAMTOR

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