SCHEMBL30801809

SCHEMBL30801809

O=C1[C@H]2CNCCN2CCN1c1ccc(-c2cccc3[nH]ncc23)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.39
ABL1 P00519 1/20 0.38
USP30 Q70CQ3 2/20 0.37
TDO2 P48775 1/20 0.37
OTUD7B Q6GQQ9 2/20 0.35
CREBBP Q92793 2/20 0.35
MAP4K1 Q92918 1/20 0.35
FASN P49327 1/20 0.35
CNR2 P34972 1/20 0.35
AURKA O14965 1/20 0.35
ROCK2 O75116 1/20 0.35
ERBB2 P04626 1/20 0.35
CSF1R P07333 1/20 0.35
FLT1 P17948 1/20 0.35
RPS6KB1 P23443 1/20 0.35
TYK2 P29597 1/20 0.35
AKT1 P31749 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35

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
SCHEMBL30801888 0.87 ROCK2 (0.38) METAP2USP30OTUD7BCREBBPROCK2
SCHEMBL30801754 0.85 CREBBP (0.35) METAP2TDO2CREBBPCNR2ROCK2
SCHEMBL30801838 0.85 OTUD7B (0.35) METAP2OTUD7BCREBBPCNR2ROCK2
SCHEMBL30801736 0.85 USP30 (0.39) METAP2USP30TDO2ROCK2BRD4
SCHEMBL23574031 0.83 USP30 (0.49) METAP2ABL1USP30OTUD7BCREBBP
SCHEMBL23574029 0.83 USP30 (0.49) METAP2ABL1USP30OTUD7BCREBBP
SCHEMBL30986836 0.83 USP30 (0.49) METAP2ABL1USP30OTUD7BCREBBP
SCHEMBL30801833 0.80 F10 (0.40) ROCK2CHRNA7KCNH2
SCHEMBL30801817 0.78 MAPT (0.39) USP30TDO2ROCK2KCNH2
SCHEMBL30801740 0.76 METAP2 (0.33) METAP2TDO2ROCK2

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