SCHEMBL25459189

SCHEMBL25459189

c1ccc(-c2ccc(-c3nc(-c4ccccc4)nc(-c4cccc5oc6cc(-c7ccc8sc9cccc(-c%10ccccc%10)c9c8c7)ccc6c45)n3)cc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 2/20 0.33
F9 P00740 1/20 0.33
SLC9A1 P19634 2/20 0.33
LIMK1 P53667 2/20 0.32
PIM1 P11309 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
ROCK1 Q13464 1/20 0.31
HCRTR1 O43613 1/20 0.31
PRKDC P78527 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 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
SCHEMBL25459196 0.98 PIM3 (0.33) PIM3F9SLC9A1LIMK1PIM1
SCHEMBL26709298 0.95 HCRTR1 (0.33) PIM3LIMK1PIM1CSNK2A2CSNK2B
SCHEMBL25459284 0.95 PIM3 (0.34) PIM3F9SLC9A1LIMK1PIM1
SCHEMBL25459275 0.95 LIMK1 (0.34) PIM3F9SLC9A1LIMK1HCRTR1
SCHEMBL19802231 0.94 PLA2G2A (0.33) PIM3F9SLC9A1LIMK1PIM1
SCHEMBL22876160 0.94 PLA2G2A (0.34) PIM3F9SLC9A1LIMK1PIM1
SCHEMBL19803132 0.94 PLA2G2A (0.34) PIM3F9SLC9A1LIMK1PIM1
SCHEMBL20871488 0.94 PIM3 (0.36) PIM3F9SLC9A1LIMK1PIM1
SCHEMBL25458829 0.94 F9 (0.36) PIM3F9SLC9A1LIMK1PIM1
SCHEMBL22876356 0.93 F9 (0.33) PIM3F9SLC9A1LIMK1PIM1

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