SCHEMBL27119255

SCHEMBL27119255

COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)C2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ CA12 O43570 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34
▸ PDE2A O00408 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ MKNK2 Q9HBH9 1/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ CHEK2 O96017 1/20 0.31
▸ CCNA2 P20248 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ CCNA1 P78396 1/20 0.30
▸ TGFBR1 P36897 1/20 0.30
▸ ACVR1 Q04771 1/20 0.30

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
SCHEMBL30759604 1.00 PDE7A (0.35) PDE7APDE3APDE10ACA12CA2
SCHEMBL30759543 0.88 PDE7A (0.35) PDE7APDE3APDE10ACA12CA2
SCHEMBL27119238 0.88 PDE7A (0.35) PDE7APDE3APDE10ACA12CA2
SCHEMBL27118994 0.88 PDE7A (0.35) PDE7APDE3APDE10ACA12CA2
SCHEMBL30759608 0.88 PDE7A (0.35) PDE7APDE3APDE10ACA12CA2
SCHEMBL17382071 0.88 MKNK1 (0.32) PDE2ACYP11B1CYP11B2MKNK1MKNK2
SCHEMBL30681668 0.88 MKNK1 (0.32) PDE2ACYP11B1CYP11B2MKNK1MKNK2
SCHEMBL27119215 0.84 PDE7A (0.38) PDE7APDE3APDE10ACA12CA2
SCHEMBL27119230 0.83 PDE7A (0.36) PDE7APDE3APDE10ACA12CA2
SCHEMBL30759625 0.82 PDE7A (0.36) PDE7APDE3APDE10ACYP11B1CYP11B2

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-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
WO-2024044778-A2 NOVEL MODULATORS OF FSHR AND USES THEREOF CELMATIX INC. (US) 2024-02-29 — — WO disclosed
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