SCHEMBL27167206

SCHEMBL27167206

Clc1cccc(C#Cc2n[nH]c3ncccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 2/20 0.42
▸ MTOR P42345 2/20 0.42
▸ GRM5 P41594 5/20 0.40
▸ NUDT1 P36639 2/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ GRM4 Q14833 3/20 0.38
▸ ABL1 P00519 1/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HAO1 Q9UJM8 1/20 0.36

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
SCHEMBL30055761 1.00 PIK3CA (0.42) PIK3CAMTORGRM5NUDT1KCNH2
SCHEMBL30055557 0.79 FADS1 (0.49) PIK3CAMTORGRM5KCNH2HPGD
SCHEMBL12269780 0.79 PIK3CA (0.60) PIK3CAMTORGRM5MAPT
SCHEMBL12269859 0.73 GRM5 (0.41) PIK3CAMTORGRM5KCNH2CYP1A2
SCHEMBL31614582 0.72 ABL1 (0.46) GRM5KCNH2GRM4ABL1MEN1
SCHEMBL30130235 0.72 PARP1 (0.35) PIK3CAMTORGRM4
SCHEMBL30707869 0.70 KCNH2 (0.67) GRM5KCNH2CYP2C9PTGDR2HAO1
SCHEMBL4562631 0.70 KCNH2 (0.67) GRM5KCNH2CYP2C9PTGDR2HAO1
SCHEMBL1477031 0.70 GRM5 (0.50) GRM5KCNH2CYP2C9PTGDR2CYP1A2
SCHEMBL30669242 0.70 GRM5 (0.50) GRM5KCNH2CYP2C9PTGDR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4333819-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY Katholieke Universiteit Leuven (BE) 2024-03-13 — — EP claimed
EP-4333819-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY Katholieke Universiteit Leuven (BE) 2024-03-13 — — EP disclosed
WO-2022233877-A1 TREATMENT OF PHARMACORESISTANT EPILEPSY KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-11-10 — — WO disclosed
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