SCHEMBL25458461

SCHEMBL25458461

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccc(-c6ccc7c(c6)oc6ccc(-n8c9ccccc9c9cc(-c%10ccccc%10)ccc98)cc67)cc45)n3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.35
ALOX5 P09917 2/20 0.34
PIM1 P11309 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
PTPRF P10586 6/20 0.31
PTPN2 P17706 6/20 0.31
PTPN1 P18031 6/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 2/20 0.30
TSHR P16473 2/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
CHEK2 O96017 1/20 0.30
LMNA P02545 1/20 0.30
MAPK1 P28482 1/20 0.30
HSD17B10 Q99714 1/20 0.30
ALDH1A1 P00352 2/20 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
SCHEMBL25458396 0.99 PRKDC (0.34) PRKDCALOX5PIM1CSNK2A2CSNK2B
SCHEMBL21883213 0.99 PRKDC (0.36) PRKDCALOX5PIM1CSNK2A2CSNK2B
SCHEMBL25954293 0.99 PRKDC (0.36) PRKDCALOX5PIM1CSNK2A2CSNK2B
SCHEMBL25458460 0.98 PRKDC (0.35) PRKDCALOX5PIM1CSNK2A2CSNK2B
SCHEMBL25458483 0.97 ALOX5 (0.35) PRKDCALOX5PIM1CSNK2A2CSNK2B
SCHEMBL25926342 0.97 ALOX5 (0.36) PRKDCALOX5PIM1CSNK2A2CSNK2B
SCHEMBL25926366 0.97 ALOX5 (0.36) PRKDCALOX5PIM1CSNK2A2CSNK2B
SCHEMBL23823855 0.96 PRKDC (0.35) PRKDCALOX5PIM1CSNK2A2CSNK2B
SCHEMBL25458731 0.96 ALOX5 (0.39) PRKDCALOX5PIM1CSNK2A2CSNK2B
SCHEMBL25458844 0.96 ALOX5 (0.39) PRKDCALOX5PIM1CSNK2A2CSNK2B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed
US-20230157151-A1 ORGANIC ELECTROLUMINESCENT APPARATUS MERCK PATENT GMBH (DE) 2023-05-18 US disclosed