SCHEMBL25458450

SCHEMBL25458450

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5c4oc4ccc(-c6cccc7c6oc6ccc(-n8c9ccccc9c9cc(-c%10ccccc%10)ccc98)cc67)cc45)n3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.38
PIM1 P11309 1/20 0.35
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PRKDC P78527 3/20 0.33
PTPRF P10586 6/20 0.33
PTPN2 P17706 6/20 0.33
PTPN1 P18031 6/20 0.33
GGPS1 O95749 1/20 0.32
MAPT P10636 2/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32
PIK3CB P42338 1/20 0.32
PIK3CG P48736 1/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G4A P47712 1/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL17232176 0.98 ALOX5 (0.37) ALOX5PIM1CSNK2A2CSNK2BPIM3
SCHEMBL29405483 0.98 PIM1 (0.36) ALOX5PIM1CSNK2A2CSNK2BPIM3
SCHEMBL17225090 0.98 PIM1 (0.36) ALOX5PIM1CSNK2A2CSNK2BPIM3
SCHEMBL18562288 0.97 ALOX5 (0.40) ALOX5PIM1CSNK2A2CSNK2BPIM3
SCHEMBL25458350 0.97 ALOX5 (0.35) ALOX5PIM1CSNK2A2CSNK2BPIM3
SCHEMBL25458485 0.97 PIM1 (0.36) ALOX5PIM1CSNK2A2CSNK2BPIM3
SCHEMBL25458374 0.96 ALOX5 (0.35) ALOX5PIM1CSNK2A2CSNK2BPIM3
SCHEMBL18562285 0.96 ALOX5 (0.43) ALOX5PRKDCPTPRFPTPN2PTPN1
SCHEMBL25458507 0.96 PIM1 (0.35) ALOX5PIM1CSNK2A2CSNK2BPIM3
SCHEMBL25458326 0.96 PIM1 (0.35) ALOX5PIM1CSNK2A2CSNK2BPIM3

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