SCHEMBL30832371

SCHEMBL30832371

CN1CCCOc2cccc3ncnc1c23

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.40
PTK2 Q05397 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
HTT P42858 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
EGFR P00533 5/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL29999565 0.92 GRM5 (0.48) GRM5PTK2HRH4HTTLMNA
SCHEMBL30832233 0.79 PTK2 (0.35) GRM5PTK2HRH4HTTLMNA
SCHEMBL30789308 0.69 PTK2 (0.40) PTK2HTTLMNA
SCHEMBL31572160 0.67 CHRNB4 (0.35) HRH4HTTLMNASMN1; SMN2NCOA3
SCHEMBL31572161 0.67 CHRNB4 (0.35) HRH4HTTLMNASMN1; SMN2NCOA3
SCHEMBL29933984 0.66 GRM5 (0.51) GRM5CYP1A2
SCHEMBL517094 0.66 GRM5 (0.51) GRM5CYP1A2
SCHEMBL30988180 0.66 MPO (0.41) GRM5PTK2HRH4ALDH1A1RAB9A
SCHEMBL9228795 0.65 NOTUM (0.49) HTTLMNASMN1; SMN2KMT2ANPC1
SCHEMBL17827750 0.65 PDGFRB (0.50) PTK2HRH4LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568974-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BeiGene Switzerland GmbH (CH) 2025-06-18 EP disclosed
WO-2024032702-A1 HETEROCYCLIC COMPOUNDS, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH BEIGENE, LTD. (KY) 2024-02-15 WO disclosed