SCHEMBL25459176

SCHEMBL25459176

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7ccc8c(c7)sc7cc(-c9ccccc9)ccc78)ccc6c45)n3)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.35
PIK3CA P42336 1/20 0.35
PI4KA P42356 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
ADORA2A P29274 2/20 0.33
ADORA1 P30542 2/20 0.33
PIM3 Q86V86 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
ALOX15 P16050 1/20 0.32
ADORA2B P29275 1/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
HCRTR1 O43613 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL23822565 0.97 PRKDC (0.36) LIMK1PIK3CAPI4KAPI4KBADORA2A
SCHEMBL25459235 0.97 PRKDC (0.36) LIMK1PIK3CAPI4KAPI4KBADORA2A
SCHEMBL25459184 0.96 PIM3 (0.37) LIMK1PIK3CAPI4KAPI4KBADORA2A
SCHEMBL25459177 0.96 PIM3 (0.37) LIMK1PIK3CAPI4KAPI4KBADORA2A
SCHEMBL25459238 0.96 PRKDC (0.35) LIMK1PIK3CAPI4KAPI4KBPIM3
SCHEMBL24216567 0.95 PRKDC (0.36) LIMK1PIK3CAPI4KAPI4KBADORA2A
SCHEMBL23821586 0.94 MMP12 (0.35) LIMK1PIK3CAPI4KAPI4KBPIM3
SCHEMBL25459654 0.94 PRKDC (0.36) LIMK1PIK3CAPI4KAPI4KBADORA2A
SCHEMBL20871458 0.94 LIMK1 (0.33) LIMK1PIK3CAPI4KAPI4KBADORA2A
SCHEMBL25459263 0.94 LIMK1 (0.34) LIMK1PIK3CAPI4KAPI4KBADORA2A

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