SCHEMBL25459263

SCHEMBL25459263

c1ccc(-c2ccc3c(c2)sc2cc(-c4ccc5c(c4)oc4cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c45)ccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.34
PIK3CA P42336 1/20 0.34
PI4KA P42356 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
MAP3K8 P41279 3/20 0.33
HCRTR1 O43613 2/20 0.33
PRKDC P78527 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PLA2G2A P14555 1/20 0.32
PLA2G4A P47712 1/20 0.32
PIM3 Q86V86 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
PIM1 P11309 1/20 0.31

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
SCHEMBL25459329 0.97 PRKDC (0.37) LIMK1PIK3CAPI4KAPI4KBMAP3K8
SCHEMBL25459264 0.96 PIM3 (0.36) LIMK1PIK3CAPI4KAPI4KBMAP3K8
SCHEMBL25459272 0.96 PIM3 (0.36) LIMK1PIK3CAPI4KAPI4KBMAP3K8
SCHEMBL25459332 0.95 PRKDC (0.38) LIMK1HCRTR1PRKDCADORA2AADORA1
SCHEMBL25458794 0.94 PIM3 (0.37) LIMK1PIK3CAPI4KAPI4KBHCRTR1
SCHEMBL25851901 0.94 PRKDC (0.35) LIMK1PIK3CAPI4KAPI4KBHCRTR1
SCHEMBL23228204 0.94 PIM3 (0.37) LIMK1PIK3CAPI4KAPI4KBHCRTR1
SCHEMBL25459283 0.94 LIMK1 (0.33) LIMK1PIK3CAPI4KAPI4KBMAP3K8
SCHEMBL23228200 0.94 PRKDC (0.38) LIMK1HCRTR1PRKDCADORA2AADORA1
SCHEMBL25459176 0.94 LIMK1 (0.35) LIMK1PIK3CAPI4KAPI4KBHCRTR1

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