SCHEMBL25459285

SCHEMBL25459285

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5oc6cc(-c7cccc8sc9cccc(-c%10ccccc%10)c9c78)ccc6c45)c3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.38
F9 P00740 1/20 0.35
SLC9A1 P19634 2/20 0.34
PRKDC P78527 1/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
HPGD P15428 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
BACE1 P56817 1/20 0.32
HCRTR1 O43613 1/20 0.32
KDM4E B2RXH2 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
NFKB1 P19838 1/20 0.32
MAPK1 P28482 1/20 0.32
NFKB2 Q00653 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
SCHEMBL25459199 0.95 LIMK1 (0.37) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL25459265 0.94 LIMK1 (0.35) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL26196569 0.94 PRKDC (0.36) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL25459275 0.93 LIMK1 (0.34) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL23820918 0.93 PRKDC (0.36) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL25459335 0.93 PRKDC (0.36) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL25458837 0.93 LIMK1 (0.40) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL25459281 0.92 PRKDC (0.41) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL25459257 0.92 PRKDC (0.41) LIMK1F9SLC9A1PRKDCADORA2A
SCHEMBL23913828 0.92 PRKDC (0.35) LIMK1F9SLC9A1PRKDCALDH1A1

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