SCHEMBL24405891

SCHEMBL24405891

C=C(N)[C@@H](C)Cc1ccc(-n2c(=O)n(C)c3ccccc32)cn1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ AGER Q15109 1/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ BRPF1 P55201 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ BRD4 O60885 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ PDE10A Q9Y233 1/20 0.30
▸ NPEPPS P55786 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
SCHEMBL24405700 0.78 NPEPPS (0.42) PGRPIK3CDPIK3CAMTORPIK3CG
SCHEMBL24405682 0.75 PGR (0.36) PGRMAP4K1AGERPIK3CDPIK3CA
SCHEMBL24405534 0.73 PGR (0.38) PGRMAP4K1AGERPIK3CDPIK3CA
SCHEMBL27331946 0.73 PGR (0.40) PGRMAP4K1AGERPIK3CDPIK3CA
SCHEMBL24405718 0.73 PIK3CD (0.36) PGRPIK3CDPIK3CAMTORPIK3CG
SCHEMBL24405558 0.71 PGR (0.43) PGRMAP4K1PIK3CDPIK3CAMTOR
SCHEMBL24405520 0.71 PIK3CA (0.36) PGRMAP4K1PIK3CDPIK3CAMTOR
SCHEMBL27261699 0.69 HCAR3 (0.46) PGRMAP4K1PIK3CAMTORGSK3B
SCHEMBL24405723 0.69 GAA (0.39) PGRGAAGSK3BALDH1A1SMN1; SMN2
SCHEMBL24405387 0.68 HCAR3 (0.43) PGRPIK3CDPIK3CAMTORPIK3CG

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-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 — — EP disclosed
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