SCHEMBL25459283

SCHEMBL25459283

c1ccc(-c2ccc3c(c2)sc2cccc(-c4ccc5c(c4)oc4cccc(-c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6)c45)c23)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.33
PIK3CA P42336 1/20 0.32
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
MAP3K8 P41279 3/20 0.32
HCRTR1 O43613 2/20 0.32
PRKDC P78527 1/20 0.32
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
PLA2G2A P14555 1/20 0.30
PLA2G4A P47712 1/20 0.30
PIM1 P11309 1/20 0.30
CSNK2A2 P19784 1/20 0.30
CSNK2B P67870 1/20 0.30
PIM3 Q86V86 1/20 0.30
PIM2 Q9P1W9 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 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
SCHEMBL25459265 0.98 LIMK1 (0.35) LIMK1HCRTR1PRKDCADORA2AADORA1
SCHEMBL25459194 0.97 LIMK1 (0.32) LIMK1PIK3CAPI4KAPI4KBHCRTR1
SCHEMBL25459179 0.95 LIMK1 (0.32) LIMK1PIK3CAPI4KAPI4KBHCRTR1
SCHEMBL20871458 0.94 LIMK1 (0.33) LIMK1PIK3CAPI4KAPI4KBHCRTR1
SCHEMBL25459335 0.94 PRKDC (0.36) LIMK1HCRTR1PRKDCADORA2AADORA1
SCHEMBL25458834 0.94 LIMK1 (0.34) LIMK1PIK3CAPI4KAPI4KBMAP3K8
SCHEMBL25459263 0.94 LIMK1 (0.34) LIMK1PIK3CAPI4KAPI4KBMAP3K8
SCHEMBL25459240 0.94 PRKDC (0.34) LIMK1MAP3K8HCRTR1PRKDCPLA2G2A
SCHEMBL25459329 0.94 PRKDC (0.37) LIMK1PIK3CAPI4KAPI4KBMAP3K8
SCHEMBL22760673 0.94 HCRTR1 (0.36) LIMK1HCRTR1PRKDCADORA2AADORA1

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