SCHEMBL23965930

SCHEMBL23965930

CNc1nc2c(OC)c(OCCCN3CCCCC3)ccc2c(=O)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.44
KCNH2 Q12809 5/20 0.44
ADRA1A P35348 2/20 0.43
EHMT2 Q96KQ7 3/20 0.43
EHMT1 Q9H9B1 3/20 0.43
ACHE P22303 1/20 0.42
ACP1 P24666 1/20 0.41
KDR P35968 1/20 0.41
PIK3CD O00329 1/20 0.41
CHRM2 P08172 1/20 0.41
PIK3R1 P27986 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
MTOR P42345 1/20 0.41
PIK3CG P48736 1/20 0.41
RAB27A P51159 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SPIN1 Q9Y657 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL23966061 0.90 HRH3 (0.45) HRH3KCNH2ADRA1AEHMT2EHMT1
SCHEMBL24211144 0.83 PIK3CB (0.51) HRH3KCNH2EHMT2EHMT1KDR
SCHEMBL23965998 0.82 PIK3CB (0.51) HRH3KCNH2EHMT2EHMT1KDR
SCHEMBL23966072 0.81 PIK3CD (0.48) KDRPIK3CDCHRM2PIK3R1PIK3CA
SCHEMBL23966079 0.79 EPHX2 (0.49) KDRPIK3CDCHRM2PIK3R1PIK3CA
SCHEMBL23965926 0.79 PIK3CB (0.46) KDRPIK3CDCHRM2PIK3R1PIK3CA
SCHEMBL22163833 0.78 PIK3CB (0.47) KCNH2ACHEKDRPIK3CDCHRM2
SCHEMBL23965924 0.76 PIK3CB (0.51) KDRPIK3CDCHRM2PIK3R1PIK3CA
SCHEMBL22183656 0.76 PIK3CB (0.51) KDRPIK3CDCHRM2PIK3R1PIK3CA
SCHEMBL24211172 0.76 PIK3CB (0.49) HRH3KCNH2ADRA1AKDRPIK3CD

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-3904343-A1 AMINO QUINAZOLINONE, AMINO ISOQUINOLONE DERIVATIVES AND APPLICATION THEREOF Zhejiang University (CN) 2021-11-03 EP disclosed