SCHEMBL24405885

SCHEMBL24405885

C=CN(/C=C\C)c1cc(-n2c(=O)n(C)c3ccccc32)ccn1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.33
▸ PARG Q86W56 1/20 0.31
▸ EED O75530 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ PIK3CA P42336 1/20 0.31
▸ PRKDC P78527 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.30
▸ GRM4 Q14833 1/20 0.30
▸ ADORA3 P0DMS8 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
SCHEMBL24405984 0.82 EED (0.45) PGRPARGEEDMAP4K1PIK3CA
SCHEMBL1269228 0.72 PGR (0.41) PGRPARGMAP4K1PIK3CAPRKDC
SCHEMBL1269624 0.70 PGR (0.34) PGRMAP4K1GRM4
SCHEMBL1269274 0.68 XBP1 (0.31) PGRMAP4K1
SCHEMBL24405802 0.67 PGR (0.40) PGRPARGPIK3CAPRKDCGRM4
SCHEMBL24405904 0.67 LRRK2 (0.55) MAP4K1PIK3CA
SCHEMBL6362809 0.64 PGR (0.68) PGRPARGADORA3
SCHEMBL21474185 0.64 ROCK2 (0.39) PIK3CAPDE10A
SCHEMBL24405371 0.64 PGR (0.36) PGRPARGMAP4K1PIK3CAPRKDC
SCHEMBL24405899 0.62 PGR (0.37) PGRPARGPIK3CAPRKDC

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
Send feedback