SCHEMBL24405544

SCHEMBL24405544

Cc1cc2cc(-n3c(=O)n(C)c4ccccc43)cnc2n1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.40
▸ PDE10A Q9Y233 2/20 0.40
▸ MAP4K1 Q92918 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ PRKDC P78527 4/20 0.37
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PIK3CA P42336 3/20 0.36
▸ MTOR P42345 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ HKDC1 Q2TB90 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL24405507 0.83 PDE10A (0.37) GSK3BPDE10AMAP4K1PGRPRKDC
SCHEMBL24405354 0.82 GSK3B (0.40) GSK3BPDE10AMAP4K1PGRPRKDC
SCHEMBL24405741 0.77 GLO1 (0.41) GSK3BPDE10AMAP4K1PGR
SCHEMBL24405829 0.76 PDE10A (0.40) GSK3BPDE10AMAP4K1PGRKDM4E
SCHEMBL24405558 0.75 PGR (0.43) GSK3BPDE10AMAP4K1PGRPRKDC
SCHEMBL24405371 0.72 PGR (0.36) GSK3BPDE10AMAP4K1PGRPRKDC
SCHEMBL24405590 0.72 GRM5 (0.48) GSK3BPDE10AMAP4K1PGRPRKDC
SCHEMBL24405506 0.71 PRKDC (0.39) GSK3BMAP4K1PGRPRKDCKDM4E
SCHEMBL24405475 0.71 CRHR1 (0.37) GSK3BPDE10AMAP4K1PGRPRKDC
SCHEMBL6362809 0.69 PGR (0.68) GSK3BPGRKDM4EALDH1A1L3MBTL1

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