SCHEMBL30681668

SCHEMBL30681668

COc1cc2c(cc1-c1cncc(C(N)=O)c1)-c1c(c(C(=O)N(C)C(C)(C)C)nn1-c1ccsc1)CO2

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ CCNA2 P20248 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ CCNA1 P78396 1/20 0.31
▸ PDE2A O00408 1/20 0.30
▸ CYP11B1 P15538 1/20 0.30
▸ CYP11B2 P19099 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 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
SCHEMBL17382071 1.00 MKNK1 (0.32) MKNK1MKNK2NR1H4TGFBR1ACVR1
SCHEMBL30681681 0.91 TGFBR1 (0.32) NR1H4TGFBR1ACVR1
SCHEMBL17382057 0.91 TGFBR1 (0.32) NR1H4TGFBR1ACVR1
SCHEMBL16377702 0.91 TGFBR1 (0.32) NR1H4TGFBR1ACVR1
SCHEMBL17381648 0.90 CCNA2 (0.35) MKNK1MKNK2NR1H4ACVR1CCNA2
SCHEMBL16377961 0.89 CYP11B1 (0.37) MKNK1MKNK2NR1H4CYP11B1CYP11B2
SCHEMBL19321678 0.89 NR1H4 (0.35) MKNK1MKNK2NR1H4CCNA2CDK2
SCHEMBL30759604 0.88 PDE7A (0.35) MKNK1MKNK2TGFBR1ACVR1CCNA2
SCHEMBL27119255 0.88 PDE7A (0.35) MKNK1MKNK2TGFBR1ACVR1CCNA2
SCHEMBL17381651 0.88 CCNA2 (0.32) MKNK1MKNK2NR1H4CCNA2CDK2

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-3157929-B1 PYRAZOLE COMPOUNDS AS MODULATORS OF FSHR AND USES THEREOF ARES TRADING SA (CH) 2023-12-13 — — EP disclosed
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