SCHEMBL25261273

SCHEMBL25261273

O=C(O)c1c(NC2CC2)nn2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KCNQ3 O43525 8/20 0.43
▸ KCNQ2 O43526 8/20 0.43
▸ MAPK8 P45983 3/20 0.40
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HCAR3 P49019 1/20 0.36
▸ HSD11B1 P28845 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
SCHEMBL26172231 0.80 HTR6 (0.53) KCNQ3KCNQ2APOBEC3AAPOBEC3GALDH1A1
SCHEMBL26247268 0.77 APOBEC3A (0.41) KCNQ3KCNQ2APOBEC3AAPOBEC3GALDH1A1
SCHEMBL29987490 0.76 PDE2A (0.42) KCNQ3KCNQ2APOBEC3AAPOBEC3GALDH1A1
SCHEMBL30184444 0.76 DHODH (0.50) KCNQ3KCNQ2APOBEC3AAPOBEC3GALDH1A1
SCHEMBL16619547 0.73 PIK3CG (0.45) APOBEC3AAPOBEC3G
SCHEMBL23728529 0.73 APOBEC3A (0.45) KCNQ3KCNQ2APOBEC3AAPOBEC3GALDH1A1
SCHEMBL3714513 0.73 PIK3CG (0.51) APOBEC3AAPOBEC3GALDH1A1L3MBTL1HPGD
SCHEMBL405686 0.72 HTR6 (0.52) ALDH1A1HPGDHTR6SMN1; SMN2
SCHEMBL18208430 0.72 PIK3CG (0.44) APOBEC3AAPOBEC3G
SCHEMBL22102917 0.71 KCNQ3 (0.36) KCNQ3KCNQ2ALDH1A1TSHRHPGD

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
WO-2023096850-A1 PHOSPHOINOSITIDE 3 KINASE GAMMA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2023-06-01 — — WO disclosed
WO-2023096850-A1 PHOSPHOINOSITIDE 3 KINASE GAMMA INHIBITORS AND COMPOSITIONS AND METHODS THEREOF GEODE THERAPEUTICS INC. (US) 2023-06-01 — — WO disclosed
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