SCHEMBL24405984

SCHEMBL24405984

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EED O75530 1/20 0.45
▸ PGR P06401 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ PROKR1 Q8TCW9 4/20 0.38
▸ GRM4 Q14833 2/20 0.34
▸ MAPK8 P45983 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PARG Q86W56 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ MAP4K1 Q92918 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ AOC3 Q16853 1/20 0.33

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
SCHEMBL24405885 0.82 PGR (0.33) EEDPGRGRM4PARGMAP4K1
SCHEMBL1269228 0.80 PGR (0.41) PGRDYRK1AGRM4GSK3BPARG
SCHEMBL1269624 0.78 PGR (0.34) PGRPOLBGRM4MAPK8MAP4K1
SCHEMBL1269274 0.75 XBP1 (0.31) PGRNPC1RAB9AMAP4K1
SCHEMBL24405904 0.72 LRRK2 (0.55) MAPK8MAP4K1PIK3CA
SCHEMBL6362809 0.71 PGR (0.68) PGRMAPK8GSK3BPARGCYP1A2
SCHEMBL21474185 0.71 ROCK2 (0.39) PIK3CA
SCHEMBL14094434 0.68 SMN1; SMN2 (0.47) PGRPOLBRAB9AGRM4CYP1A2
SCHEMBL24405558 0.68 PGR (0.43) PGRNPC1RAB9AGSK3BCYP1A2
SCHEMBL24405829 0.68 PDE10A (0.40) PGRGRM4GSK3BPARGMAPT

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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